SCHEMBL8565865

SCHEMBL8565865

CC(C)c1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCC1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
C5AR1 P21730 2/20 0.36
GPR183 P32249 1/20 0.36
ADGRF1 Q5T601 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
KCNH2 Q12809 1/20 0.32
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL8563559 0.95 CYP2D6 (0.39) CYP2D6C5AR1HRH3KCNH2OPRK1
SCHEMBL8561882 0.94 CYP2D6 (0.41) CYP2D6HRH3KCNH2OPRK1OPRM1
SCHEMBL8562819 0.93 HRH3 (0.34) CYP2D6C5AR1GPR183ADGRF1GPR65
SCHEMBL8558391 0.88 CYP2D6 (0.34) CYP2D6HRH3KCNH2
SCHEMBL8560625 0.87 HRH3 (0.35) HRH3KCNH2OPRK1ALDH1A1
SCHEMBL8558229 0.87 CYP2D6 (0.35) CYP2D6HRH3KCNH2OPRK1OPRM1
SCHEMBL8562141 0.85 OPRK1 (0.44) CYP2D6HRH3OPRK1
SCHEMBL8560012 0.85 OPRK1 (0.37) CYP2D6HRH3OPRK1OPRM1OPRL1
SCHEMBL8560560 0.83 KDM4E (0.38) CYP2D6HRH3OPRK1OPRM1OPRL1
SCHEMBL8559150 0.83 CRBN (0.43) HRH3KCNH2OPRK1PRMT5WDR77

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