title: Molecular moment similarity between clozapine and substituted [(4-phenylpiperazinyl)-methyl] benzamides: selective dopamine D4 agonists.
abstract: Moment descriptors of the molecular charge and mass distributions are investigated within the context of molecular similarity. Euclidean distances in the moment descriptor space are shown to yield molecular proximities in accord with chemical intuition for a substituted [(4-phenylpiperazinyl)-methyl] benzamide series of dopamine D4 agonists. The proximity of the dopamine D4 antagonist clozapine to the molecules of this series is also examined in the moment space.
authors.affiliation: IBM Thomas J. Watson Research Center, Yorktown Heights, NY 10598, USA.
authors.forename: B D
authors.initials: BD
authors.lastname: Silverman
authors.forename: M C
authors.initials: MC
authors.lastname: Pitman
authors.forename: D E
authors.initials: DE
authors.lastname: Platt
authors.forename: I
authors.initials: I
authors.lastname: Rigoutsos
mesh_terms: D001549:Benzamides / Q000737:chemistry*; D003024:Clozapine / Q000737:chemistry*; D018491:Dopamine Agonists / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D017448:Receptors, Dopamine D2 / Q000819:agonists*; D050638:Receptors, Dopamine D4
chemical_list: D001549:Benzamides; D018491:Dopamine Agonists; D017448:Receptors, Dopamine D2; D050638:Receptors, Dopamine D4; D003024:Clozapine