SCHEMBL8556481

SCHEMBL8556481

CC(C)(N)C1COCCN1C(=O)C1CC(=O)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
F9 P00740 2/20 0.40
F10 P00742 2/20 0.40
F12 P00748 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
F7 P08709 2/20 0.40
PRSS3 P35030 2/20 0.40
OPRK1 P41145 6/20 0.39
UTS2R Q9UKP6 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
CYP3A4 P08684 3/20 0.34
KMT2A Q03164 3/20 0.33
ENPP2 Q13822 1/20 0.33
MEN1 O00255 2/20 0.33
AKR1C3 P42330 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 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 SCHEMBL8563333 0.99 F2 (0.39) F2F9F10F12PRSS1
SCHEMBL8556484 0.80 OPRK1 (0.39) F2F9F10F12PRSS1
Hydrochloric Acid SCHEMBL8563336 0.79 METAP1 (0.39) F2F9F10F12PRSS1
SCHEMBL8562893 0.78 UTS2R (0.54) OPRK1UTS2RHCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL8561921 0.77 UTS2R (0.53) OPRK1UTS2RHCRTR1HCRTR2CYP3A4
SCHEMBL27264710 0.76 UTS2R (0.37) OPRK1UTS2RHCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL27305166 0.76 UTS2R (0.36) OPRK1UTS2RHCRTR1HCRTR2CYP3A4
SCHEMBL8559617 0.69 UTS2R (0.44) OPRK1UTS2RHCRTR1HCRTR2CYP3A4
SCHEMBL8566774 0.68 KMT2A (0.55) OPRK1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL8565651 0.68 UTS2R (0.43) OPRK1UTS2RHCRTR1HCRTR2CYP3A4

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