SCHEMBL8559777

SCHEMBL8559777

COc1ccc(CC(=O)N2CCSCC2CN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KCNA5 P22460 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRD1 P41143 3/20 0.48
OPRM1 P35372 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8562257 0.87 OPRD1 (0.51) OPRK1OPRD1CYP3A4CYP2D6CYP2C9
SCHEMBL8563575 0.85 OPRK1 (0.54) OPRK1OPRD1CYP3A4CYP2D6CYP2C9
SCHEMBL8561676 0.84 OPRK1 (0.51) OPRK1OPRD1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8561341 0.83 OPRK1 (0.50) OPRK1OPRD1CYP3A4CYP2D6CYP2C9
SCHEMBL8562913 0.83 HRH3 (0.50) OPRK1HRH3OPRD1CYP3A4CYP2D6
SCHEMBL8562027 0.81 OPRK1 (0.51) OPRK1OPRD1CYP3A4CYP2D6CYP2C9
SCHEMBL8557841 0.81 OPRK1 (0.59) OPRK1HRH3SMN1; SMN2OPRD1OPRM1
SCHEMBL8562773 0.80 OPRK1 (0.51) OPRK1HRH3SMN1; SMN2OPRD1OPRM1
SCHEMBL8563011 0.80 OPRK1 (0.72) OPRK1OPRD1OPRM1CYP3A4CYP2D6
SCHEMBL8562550 0.79 OPRK1 (0.72) OPRK1OPRD1OPRM1CYP3A4CYP2D6

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