SCHEMBL8561882

SCHEMBL8561882

CC(C)c1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCCC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
UTS2R Q9UKP6 2/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KARS1 Q15046 1/20 0.32

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
SCHEMBL8563559 0.99 CYP2D6 (0.39) CYP2D6OPRK1OPRM1OPRL1HRH3
SCHEMBL8565865 0.94 CYP2D6 (0.39) CYP2D6OPRK1OPRM1OPRL1HRH3
SCHEMBL8558229 0.93 CYP2D6 (0.35) CYP2D6OPRK1OPRM1OPRL1HRH3
SCHEMBL8558391 0.91 CYP2D6 (0.34) CYP2D6HRH3KCNH2UTS2RKARS1
SCHEMBL8560012 0.89 OPRK1 (0.37) CYP2D6OPRK1OPRM1OPRL1HRH3
SCHEMBL8563224 0.87 MAPT (0.36) OPRK1HRH3KCNH2UTS2R
SCHEMBL8560560 0.87 KDM4E (0.38) CYP2D6OPRK1OPRM1OPRL1HRH3
SCHEMBL8562819 0.87 HRH3 (0.34) CYP2D6HRH3KCNH2KDM4EALDH1A1
SCHEMBL8560472 0.86 THRB (0.36) OPRK1HRH3KCNH2UTS2R
SCHEMBL8563085 0.85 OPRK1 (0.44) OPRK1HRH3UTS2R

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