SCHEMBL7411566

SCHEMBL7411566

CCCN(CCC)C1CCc2cc(CNC(=O)c3ccccc3C(C)=O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.61
DRD2 P14416 11/20 0.61
HTR1A P08908 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7411558 1.00 DRD3 (0.61) DRD3DRD2HTR1A
SCHEMBL7403568 0.81 DRD3 (0.67) DRD3DRD2HTR1A
SCHEMBL7403573 0.81 DRD3 (0.67) DRD3DRD2HTR1A
SCHEMBL7408334 0.77 DRD3 (0.61) DRD3DRD2HTR1A
SCHEMBL7408331 0.77 DRD3 (0.61) DRD3DRD2HTR1A
SCHEMBL7405845 0.75 DRD3 (0.54) DRD3DRD2HTR1A
SCHEMBL7405840 0.75 DRD3 (0.54) DRD3DRD2HTR1A
SCHEMBL8681931 0.73 DRD3 (0.76) DRD3DRD2HTR1A
SCHEMBL8683984 0.73 DRD3 (0.68) DRD3DRD2
SCHEMBL7503050 0.72 DRD3 (0.60) DRD3DRD2HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed
EP-0923542-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1999-06-23 EP disclosed
WO-1997045403-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-12-04 WO disclosed