SCHEMBL8562812

SCHEMBL8562812

Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCN(C)CC1CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.40
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.36
OPRM1 P35372 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM3 P20309 1/20 0.33

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
Hydrochloric Acid SCHEMBL8560547 0.99 OPRK1 (0.40) OPRK1THRBMAPTOPRM1CYP3A4
SCHEMBL8560278 0.89 OPRK1 (0.50) OPRK1MAPT
SCHEMBL8563983 0.86 OPRK1 (0.48) OPRK1
SCHEMBL8561415 0.86 HRH3 (0.43) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8559880 0.85 OPRK1 (0.48) OPRK1
Hydrochloric Acid SCHEMBL8557411 0.85 OPRK1 (0.43) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8561505 0.84 OPRK1 (0.45) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8559617 0.84 UTS2R (0.44) OPRK1THRBCYP3A4
Hydrochloric Acid SCHEMBL8559015 0.84 OPRK1 (0.44) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8563817 0.83 OPRK1 (0.40) OPRK1THRBCYP3A4

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