SCHEMBL8556484

SCHEMBL8556484

CN(C)CC1COCCN1C(=O)C1CC(=O)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.39
HCRTR1 O43613 8/20 0.38
HCRTR2 O43614 8/20 0.38
CYP3A4 P08684 8/20 0.38
METAP1 P53582 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
F2 P00734 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
F12 P00748 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
PRSS3 P35030 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MAOA P21397 1/20 0.33

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 SCHEMBL8563336 0.99 METAP1 (0.39) OPRK1HCRTR1HCRTR2CYP3A4METAP1
SCHEMBL8562893 0.84 UTS2R (0.54) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
Hydrochloric Acid SCHEMBL8561921 0.83 UTS2R (0.53) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
SCHEMBL27264710 0.82 UTS2R (0.37) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
Hydrochloric Acid SCHEMBL27305166 0.81 UTS2R (0.36) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
SCHEMBL8556481 0.80 F2 (0.40) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
Hydrochloric Acid SCHEMBL8563333 0.79 F2 (0.39) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
SCHEMBL8559617 0.75 UTS2R (0.44) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
Hydrochloric Acid SCHEMBL8565651 0.74 UTS2R (0.43) OPRK1HCRTR1HCRTR2CYP3A4UTS2R
SCHEMBL8562487 0.72 UTS2R (0.41) OPRK1CYP3A4UTS2ROPRD1

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 9 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
CN-1036004-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-10-01 CN disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
CN-1034731-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-04-30 CN 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