SCHEMBL8562819

SCHEMBL8562819

CC(C)c1ccc2c(c1)CCCC2C(=O)N1CCSCC1CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.32
BDKRB1 P46663 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
C5AR1 P21730 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GPR183 P32249 1/20 0.31
ADGRF1 Q5T601 1/20 0.31
GPR65 Q8IYL9 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
SCHEMBL8558391 0.95 CYP2D6 (0.34) HRH3CYP2D6KCNH2
SCHEMBL8558229 0.94 CYP2D6 (0.35) HRH3CYP2D6KCNH2BDKRB1KDM4E
SCHEMBL8565865 0.93 CYP2D6 (0.39) HRH3CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL8563559 0.88 CYP2D6 (0.39) HRH3CYP2D6KCNH2C5AR1
SCHEMBL8558697 0.87 HRH3 (0.35) HRH3KCNH2BDKRB1
SCHEMBL8561882 0.87 CYP2D6 (0.41) HRH3CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL8556894 0.87 MAPT (0.35) HRH3BDKRB1
SCHEMBL8560299 0.85 UTS2R (0.41) HRH3CYP2D6
SCHEMBL8560560 0.85 KDM4E (0.38) HRH3CYP2D6KDM4EALDH1A1
SCHEMBL8565280 0.85 UTS2R (0.42) HRH3

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