SCHEMBL8566852

SCHEMBL8566852

COc1ccc2c(c1)C(=O)CC2C(=O)N1CCSCC1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
OPRK1 P41145 3/20 0.38
CHRNA7 P36544 2/20 0.37
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
TSHR P16473 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
SCHEMBL8557172 0.93 OPRK1 (0.44) HRH3OPRK1CHRNA7DRD2HTR2A
Hydrochloric Acid SCHEMBL8564501 0.92 OPRK1 (0.43) HRH3OPRK1CHRNA7DRD2HTR2A
SCHEMBL8561543 0.87 OPRK1 (0.40) HRH3OPRK1UTS2R
Hydrochloric Acid SCHEMBL8556863 0.87 OPRK1 (0.39) HRH3OPRK1UTS2R
SCHEMBL8566739 0.87 OPRK1 (0.39) HRH3OPRK1UTS2R
SCHEMBL8565697 0.86 HRH3 (0.54) HRH3OPRK1
SCHEMBL8565207 0.85 OPRK1 (0.50) HRH3OPRK1UTS2R
SCHEMBL8834703 0.85 OPRK1 (0.50) HRH3OPRK1UTS2R
SCHEMBL8557796 0.85 OPRK1 (0.38) HRH3OPRK1MEN1ALDH1A1KMT2A
SCHEMBL8567889 0.85 OPRK1 (0.49) HRH3OPRK1CHRNA7UTS2R

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