SCHEMBL8564299

SCHEMBL8564299

Cc1cc2c(cc1C)C(C(=O)N1CCSCC1CN1CCCCC1)CC2=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.40
UTS2R Q9UKP6 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8560473 0.99 OPRK1 (0.41) OPRK1UTS2RCYP3A4CYP2D6HRH3
SCHEMBL8566739 0.88 OPRK1 (0.39) OPRK1UTS2RHRH3
SCHEMBL8563053 0.88 OPRK1 (0.45) OPRK1UTS2R
SCHEMBL8556467 0.88 OPRK1 (0.40) OPRK1UTS2RHRH3
SCHEMBL8558250 0.88 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3
Hydrochloric Acid SCHEMBL8558655 0.87 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3
SCHEMBL8560273 0.87 OPRK1 (0.46) OPRK1UTS2R
SCHEMBL8561543 0.87 OPRK1 (0.40) OPRK1UTS2RHRH3
SCHEMBL8834995 0.87 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6HRH3
SCHEMBL8558879 0.87 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6HRH3

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