SCHEMBL8563085

SCHEMBL8563085

O=C(C1CCc2ccc(Cl)cc21)N1CCSCC1CN1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
UTS2R Q9UKP6 8/20 0.43
HRH3 Q9Y5N1 3/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8563885 0.99 OPRK1 (0.44) OPRK1UTS2RHRH3DRD2DRD3
SCHEMBL8562141 0.94 OPRK1 (0.44) OPRK1UTS2RHRH3DRD2DRD3
SCHEMBL8563103 0.92 UTS2R (0.43) OPRK1UTS2RHRH3NPC1
SCHEMBL8559101 0.91 UTS2R (0.42) OPRK1UTS2RHRH3NPC1
SCHEMBL8557551 0.88 OPRK1 (0.51) OPRK1UTS2RHRH3
SCHEMBL8563224 0.88 MAPT (0.36) OPRK1UTS2RHRH3
SCHEMBL8564463 0.88 OPRK1 (0.41) OPRK1UTS2RHRH3NPC1
SCHEMBL8565280 0.87 UTS2R (0.42) OPRK1UTS2RHRH3
SCHEMBL8560472 0.87 THRB (0.36) OPRK1UTS2RHRH3NPC1
SCHEMBL8900202 0.87 OPRK1 (0.40) OPRK1UTS2RHRH3NPC1

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
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed