SCHEMBL8906340

SCHEMBL8906340

O=C(Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.59
DRD3 P35462 6/20 0.59
DRD4 P21917 5/20 0.59
HTR1A P08908 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8907983 0.85 DRD2 (0.66) DRD2DRD3DRD4HTR1A
SCHEMBL8906697 0.80 DRD2 (0.72) DRD2DRD3DRD4HTR1A
SCHEMBL9024037 0.80 DRD2 (0.55) DRD2DRD3DRD4HTR1A
SCHEMBL8907838 0.78 DRD2 (0.66) DRD2DRD3DRD4HTR1A
SCHEMBL9528467 0.77 RAB9A (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8907640 0.77 DRD2 (0.67) DRD2DRD3DRD4HTR1A
SCHEMBL8906622 0.75 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8906350 0.73 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8906947 0.73 DRD2 (0.70) DRD2DRD3DRD4HTR1A
SCHEMBL8906889 0.73 DRD2 (0.72) DRD2DRD3DRD4HTR1A

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