SCHEMBL8560141

SCHEMBL8560141

COc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCC1)CC2

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.42
MTNR1A P48039 8/20 0.42
HRH3 Q9Y5N1 2/20 0.41
NQO2 P16083 2/20 0.39

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
SCHEMBL8561221 0.92 HRH3 (0.43) MTNR1BHRH3
SCHEMBL8560472 0.87 THRB (0.36) HRH3
SCHEMBL8563224 0.86 MAPT (0.36) HRH3
SCHEMBL8563885 0.85 OPRK1 (0.44) HRH3
SCHEMBL8563559 0.85 CYP2D6 (0.39) HRH3
SCHEMBL8563085 0.84 OPRK1 (0.44) HRH3
SCHEMBL8561882 0.84 CYP2D6 (0.41) HRH3
SCHEMBL8562129 0.83 HRH3 (0.33) HRH3
SCHEMBL8559582 0.83 HRH3 (0.44) HRH3
SCHEMBL8560625 0.82 HRH3 (0.35) HRH3

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