SCHEMBL8562019

SCHEMBL8562019

O=C1CCC(C(=O)N2CCSCC2CN2CCCC2)c2cc(F)c(F)cc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.34
UTS2R Q9UKP6 2/20 0.32
HRH3 Q9Y5N1 6/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8556467 0.91 OPRK1 (0.40) OPRK1UTS2RHRH3
SCHEMBL8567980 0.90 OPRK1 (0.41) OPRK1HRH3
SCHEMBL8557993 0.90 DPP4 (0.34) OPRK1UTS2RHRH3KCNH2
SCHEMBL8564348 0.89 DPP4 (0.34) OPRK1UTS2RHRH3KCNH2
SCHEMBL8563440 0.88 OPRK1 (0.39) OPRK1HRH3
SCHEMBL8834200 0.88 OPRK1 (0.39) OPRK1HRH3
SCHEMBL8559841 0.88 OPRK1 (0.39) OPRK1HRH3
SCHEMBL8834793 0.88 OPRK1 (0.39) OPRK1HRH3
Hydrochloric Acid SCHEMBL8900045 0.87 OPRK1 (0.39) OPRK1HRH3
Hydrochloric Acid SCHEMBL8901127 0.87 OPRK1 (0.39) OPRK1HRH3

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