SCHEMBL8560560

SCHEMBL8560560

CC(C)c1ccc2c(c1)C(=O)CCC2C(=O)N1CCSCC1CN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRK1 P41145 3/20 0.33
CYP2D6 P10635 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
HRH3 Q9Y5N1 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL8560012 0.93 OPRK1 (0.37) KDM4EALDH1A1OPRK1CYP2D6OPRM1
SCHEMBL8561389 0.92 OPRK1 (0.38) KDM4EALDH1A1OPRK1OPRM1OPRL1
SCHEMBL8557796 0.91 OPRK1 (0.38) KDM4EALDH1A1OPRK1BCHEACHE
SCHEMBL8558229 0.89 CYP2D6 (0.35) KDM4EALDH1A1OPRK1CYP2D6OPRM1
SCHEMBL8560733 0.88 MAPT (0.35) OPRK1HRH3UTS2R
SCHEMBL8562827 0.88 MAPT (0.35) OPRK1HRH3UTS2R
SCHEMBL8558391 0.88 CYP2D6 (0.34) CYP2D6HRH3UTS2R
SCHEMBL8561882 0.87 CYP2D6 (0.41) KDM4EALDH1A1OPRK1CYP2D6OPRM1
SCHEMBL8558029 0.86 OPRK1 (0.42) OPRK1HRH3UTS2R
SCHEMBL8560554 0.86 OPRK1 (0.42) OPRK1HRH3UTS2R

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