SCHEMBL8907863

SCHEMBL8907863

CC(=O)Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.66
DRD3 P35462 6/20 0.66
DRD4 P21917 5/20 0.66
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL8906569 0.87 DRD2 (0.72) DRD2DRD3DRD4SIGMAR1
SCHEMBL8906710 0.85 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL8907983 0.81 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL8906793 0.80 DRD2 (1.00) DRD2DRD3DRD4SIGMAR1
SCHEMBL9710672 0.79 DRD2 (0.55) DRD2DRD3DRD4SIGMAR1
SCHEMBL7106945 0.77 DRD2 (0.83) DRD2DRD3DRD4
SCHEMBL8906850 0.75 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL6975249 0.75 DRD2 (0.73) DRD2DRD3DRD4
SCHEMBL6963721 0.75 DRD2 (0.69) DRD2DRD3DRD4SIGMAR1
SCHEMBL8908080 0.74 DRD2 (0.67) DRD2DRD3DRD4

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