SCHEMBL8564526

SCHEMBL8564526

O=C1CCC(C(=O)N2CCSCC2CN2CCOCC2)c2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.43
UTS2R Q9UKP6 7/20 0.42
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.35
CFTR P13569 1/20 0.35
UBE2I P63279 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
GOPC Q9HD26 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL8557551 0.92 OPRK1 (0.51) OPRK1UTS2R
SCHEMBL8559765 0.89 THRB (0.37) OPRK1UTS2RMEN1KMT2AHKDC1
SCHEMBL8558564 0.89 UTS2R (0.35) OPRK1UTS2RCYP3A4CYP2D6
SCHEMBL8562947 0.87 MAPK1 (0.39) OPRK1UTS2RALDH1A1
SCHEMBL8560662 0.84 UTS2R (0.44) OPRK1UTS2RCYP3A4CYP2D6MEN1
SCHEMBL8560554 0.84 OPRK1 (0.42) OPRK1UTS2R
SCHEMBL8558029 0.84 OPRK1 (0.42) OPRK1UTS2R
Hydrochloric Acid SCHEMBL8563826 0.83 OPRK1 (0.42) OPRK1UTS2R
SCHEMBL8564004 0.83 OPRK1 (0.58) OPRK1UTS2RMAOAMAOB
SCHEMBL8560543 0.82 OPRK1 (0.59) OPRK1UTS2R

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