SCHEMBL8562893

SCHEMBL8562893

O=C1CC(C(=O)N2CCOCC2CN2CCCC2)c2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.54
OPRK1 P41145 5/20 0.50
HRH3 Q9Y5N1 4/20 0.39
CYP3A4 P08684 3/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
BCL2 P10415 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRD1 P41143 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Hydrochloric Acid SCHEMBL8561921 0.99 UTS2R (0.53) UTS2ROPRK1HRH3CYP3A4HCRTR1
SCHEMBL8559617 0.89 UTS2R (0.44) UTS2ROPRK1CYP3A4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL8565651 0.88 UTS2R (0.43) UTS2ROPRK1CYP3A4HCRTR1HCRTR2
SCHEMBL8562223 0.88 UTS2R (0.46) UTS2ROPRK1HRH3CYP3A4NPC1
Hydrochloric Acid SCHEMBL8560223 0.87 UTS2R (0.46) UTS2ROPRK1HRH3CYP3A4NPC1
SCHEMBL8558296 0.85 OPRK1 (0.48) UTS2ROPRK1HRH3
SCHEMBL8564805 0.85 OPRK1 (0.53) UTS2ROPRK1HRH3CYP3A4NPC1
Hydrochloric Acid SCHEMBL8565873 0.85 OPRK1 (0.52) UTS2ROPRK1HRH3CYP3A4NPC1
Hydrochloric Acid SCHEMBL8558540 0.85 OPRK1 (0.48) UTS2ROPRK1HRH3
SCHEMBL8556484 0.84 OPRK1 (0.39) UTS2ROPRK1CYP3A4HCRTR1HCRTR2

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