SCHEMBL8907645

SCHEMBL8907645

CCCNc1ccc(C#CCCN2C=CC(C3=CCC=CC3)=CC2)nc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL8907408 0.77
SCHEMBL8906582 0.75 PIK3CA (0.34) DRD2DRD4DRD3
SCHEMBL8906856 0.72 DRD2 (0.46) DRD2DRD4DRD3
SCHEMBL8906794 0.68
SCHEMBL8907640 0.68 DRD2 (0.67) DRD2DRD4DRD3
SCHEMBL9467917 0.65
SCHEMBL11828755 0.65
SCHEMBL9473855 0.63 SIGMAR1 (0.36)
SCHEMBL9466840 0.61 SIGMAR1 (0.40) DRD4
SCHEMBL9773141 0.60 DRD2 (0.31) DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP claimed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO claimed
US-5620988-A Substituted tetrahydropyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP disclosed
US-5466698-A Substituted tetrahydrophyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1995-11-14 US disclosed
US-5273977-A 1-Phenylethylidynealkylene-4-phenyl-1,2,5,6-tetrahydropyridines WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed