SCHEMBL8562437

SCHEMBL8562437

O=C1CC(C(=O)N2CCSCC2CN2CCCC2)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
KCNH2 Q12809 2/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 3/20 0.38
GAA P10253 1/20 0.36
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL8561543 0.85 OPRK1 (0.40) HRH3OPRK1UTS2R
SCHEMBL8565207 0.85 OPRK1 (0.50) HRH3OPRK1UTS2R
SCHEMBL8834703 0.85 OPRK1 (0.50) HRH3OPRK1UTS2R
Hydrochloric Acid SCHEMBL8561472 0.85 OPRK1 (0.49) HRH3OPRK1UTS2R
Hydrochloric Acid SCHEMBL8556863 0.85 OPRK1 (0.39) HRH3OPRK1UTS2R
SCHEMBL8567889 0.85 OPRK1 (0.49) HRH3OPRK1UTS2R
SCHEMBL8566739 0.85 OPRK1 (0.39) HRH3OPRK1UTS2R
SCHEMBL8567980 0.83 OPRK1 (0.41) HRH3OPRK1
SCHEMBL8561468 0.83 OPRK1 (0.48) HRH3KCNH2OPRK1
SCHEMBL8557796 0.83 OPRK1 (0.38) HRH3OPRK1

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