SCHEMBL8563817

SCHEMBL8563817

Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCNCC1CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.33
TACR1 P25103 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8561415 0.85 HRH3 (0.43) OPRK1CYP3A4HRH3
Hydrochloric Acid SCHEMBL8557411 0.85 OPRK1 (0.43) OPRK1CYP3A4HRH3
SCHEMBL8562812 0.83 OPRK1 (0.40) OPRK1CYP3A4THRB
SCHEMBL8559617 0.83 UTS2R (0.44) OPRK1HCRTR1HCRTR2CYP3A4THRB
SCHEMBL8561543 0.82 OPRK1 (0.40) OPRK1THRBHRH3
Hydrochloric Acid SCHEMBL8560547 0.82 OPRK1 (0.40) OPRK1CYP3A4THRB
Hydrochloric Acid SCHEMBL8565651 0.82 UTS2R (0.43) OPRK1HCRTR1HCRTR2CYP3A4THRB
SCHEMBL8566739 0.81 OPRK1 (0.39) OPRK1THRBHRH3
Hydrochloric Acid SCHEMBL8556863 0.81 OPRK1 (0.39) OPRK1THRBHRH3
SCHEMBL27264297 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BHCRTR1HCRTR2

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