SCHEMBL8560625

SCHEMBL8560625

Cc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCC1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
THRB P10828 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 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
SCHEMBL8560472 0.95 THRB (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8563224 0.94 MAPT (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8561099 0.92 THRB (0.38) THRBUTS2RMAPTMEN1ALDH1A1
SCHEMBL8558697 0.92 HRH3 (0.35) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8556894 0.91 MAPT (0.35) HRH3THRBUTS2RMAPTMEN1
SCHEMBL8562141 0.88 OPRK1 (0.44) HRH3UTS2ROPRK1
SCHEMBL8565865 0.87 CYP2D6 (0.39) HRH3KCNH2ALDH1A1OPRK1
SCHEMBL8562076 0.87 THRB (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8563434 0.86 MAPT (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8559150 0.85 CRBN (0.43) HRH3KCNH2DDB1CRBNOPRK1

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