SCHEMBL8559617

SCHEMBL8559617

Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCOCC1CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.44
OPRK1 P41145 2/20 0.40
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 9/20 0.36
HCRTR2 O43614 9/20 0.36
CYP3A4 P08684 4/20 0.35
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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 SCHEMBL8565651 0.99 UTS2R (0.43) UTS2ROPRK1ALDH1A1HCRTR1HCRTR2
SCHEMBL8562893 0.89 UTS2R (0.54) UTS2ROPRK1HCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL8561921 0.88 UTS2R (0.53) UTS2ROPRK1HCRTR1HCRTR2CYP3A4
SCHEMBL8561415 0.86 HRH3 (0.43) OPRK1CYP3A4
SCHEMBL8558296 0.86 OPRK1 (0.48) UTS2ROPRK1MEN1KMT2A
Hydrochloric Acid SCHEMBL8558540 0.85 OPRK1 (0.48) UTS2ROPRK1MEN1KMT2A
Hydrochloric Acid SCHEMBL8557411 0.85 OPRK1 (0.43) OPRK1CYP3A4
SCHEMBL8562223 0.84 UTS2R (0.46) UTS2ROPRK1CYP3A4
Hydrochloric Acid SCHEMBL8560223 0.84 UTS2R (0.46) UTS2ROPRK1CYP3A4
SCHEMBL8562812 0.84 OPRK1 (0.40) OPRK1CYP3A4THRB

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