SCHEMBL8558029

SCHEMBL8558029

O=C1CCC(C(=O)N2CCSCC2CN2CCCCC2)c2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
UTS2R Q9UKP6 6/20 0.42
HRH3 Q9Y5N1 3/20 0.39
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8560554 1.00 OPRK1 (0.42) OPRK1UTS2RHRH3TP53MAPT
Hydrochloric Acid SCHEMBL8563826 0.99 OPRK1 (0.42) OPRK1UTS2RHRH3
SCHEMBL8557551 0.92 OPRK1 (0.51) OPRK1UTS2RHRH3
SCHEMBL8567889 0.91 OPRK1 (0.49) OPRK1UTS2RHRH3
SCHEMBL8834703 0.90 OPRK1 (0.50) OPRK1UTS2RHRH3
SCHEMBL8565207 0.90 OPRK1 (0.50) OPRK1UTS2RHRH3
Hydrochloric Acid SCHEMBL8561472 0.89 OPRK1 (0.49) OPRK1UTS2RHRH3
SCHEMBL8560733 0.89 MAPT (0.35) OPRK1UTS2RHRH3MAPT
SCHEMBL8562827 0.89 MAPT (0.35) OPRK1UTS2RHRH3MAPT
SCHEMBL8834793 0.88 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 6 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
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