SCHEMBL8562773

SCHEMBL8562773

COc1ccc(CC(=O)N2CCOCC2CN2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.51
HRH3 Q9Y5N1 1/20 0.51
UTS2R Q9UKP6 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
OPRD1 P41143 3/20 0.48
OPRM1 P35372 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL8563629 0.89 UTS2R (0.54) OPRK1UTS2ROPRD1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8557549 0.87 UTS2R (0.53) OPRK1UTS2ROPRD1CYP3A4CYP2D6
SCHEMBL8563012 0.85 UTS2R (0.64) OPRK1UTS2ROPRD1CYP3A4CYP2D6
SCHEMBL8565643 0.84 OPRK1 (0.51) OPRK1UTS2ROPRD1CYP3A4CYP2D6
SCHEMBL8562836 0.83 MAPT (0.55) OPRK1HRH3UTS2ROPRD1CYP3A4
SCHEMBL8559000 0.81 OPRK1 (0.51) OPRK1UTS2ROPRD1CYP3A4CYP2D6
SCHEMBL8557841 0.81 OPRK1 (0.59) OPRK1HRH3SMN1; SMN2OPRD1OPRM1
SCHEMBL8558685 0.81 OPRK1 (0.73) OPRK1OPRD1OPRM1CYP3A4CYP2D6
SCHEMBL8558073 0.80 OPRK1 (0.74) OPRK1OPRD1OPRM1CYP3A4CYP2D6
SCHEMBL8559777 0.80 OPRK1 (0.51) OPRK1HRH3SMN1; SMN2OPRD1OPRM1

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