SCHEMBL8558697

SCHEMBL8558697

Cc1ccc2c(c1)CCCC2C(=O)N1CCSCC1CN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
THRB P10828 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BDKRB1 P46663 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL8556894 0.99 MAPT (0.35) HRH3THRBUTS2RPOLBMAPT
SCHEMBL8562076 0.95 THRB (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8563434 0.94 MAPT (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8560625 0.92 HRH3 (0.35) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8560299 0.88 UTS2R (0.41) HRH3UTS2R
SCHEMBL8562819 0.87 HRH3 (0.34) HRH3KCNH2BDKRB1
SCHEMBL8565280 0.87 UTS2R (0.42) HRH3UTS2RMAPT
SCHEMBL8560472 0.87 THRB (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8563224 0.86 MAPT (0.36) HRH3THRBUTS2RKCNH2MAPT
SCHEMBL8559150 0.85 CRBN (0.43) HRH3KCNH2DDB1CRBN

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