SCHEMBL8562238

SCHEMBL8562238

O=C1CCC(C(=O)N2CCOCC2CN2CCCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.42
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 5/20 0.38
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
METAP1 P53582 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8558296 0.89 OPRK1 (0.48) UTS2ROPRK1HRH3MAPK1KCNH2
Hydrochloric Acid SCHEMBL8558540 0.88 OPRK1 (0.48) UTS2ROPRK1HRH3MAPK1KCNH2
SCHEMBL8562748 0.86 HRH3 (0.49) HRH3KCNH2
Hydrochloric Acid SCHEMBL8557566 0.85 HRH3 (0.48) HRH3KCNH2
SCHEMBL8562736 0.84 UTS2R (0.45) UTS2ROPRK1HRH3
SCHEMBL9012634 0.84 UTS2R (0.45) UTS2ROPRK1HRH3
SCHEMBL8566978 0.83 UTS2R (0.43) UTS2ROPRK1HRH3KCNH2
SCHEMBL8559421 0.81 OPRK1 (0.41) OPRK1HRH3KCNH2ALDH1A1NPSR1
SCHEMBL8563303 0.81 OPRK1 (0.41) OPRK1HRH3KCNH2ALDH1A1NPSR1
SCHEMBL8561008 0.81 OPRK1 (0.41) OPRK1HRH3KCNH2ALDH1A1NPSR1

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