SCHEMBL8556894

SCHEMBL8556894

Cc1ccc2c(c1)CCCC2C(=O)N1CCSCC1CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
BDKRB1 P46663 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
THRB P10828 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
UTS2R Q9UKP6 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
SCHEMBL8558697 0.99 HRH3 (0.35) MAPTBDKRB1CHRM2CHRM4CHRM1
SCHEMBL8563434 0.95 MAPT (0.36) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL8562076 0.94 THRB (0.36) MAPTTHRBHRH3UTS2R
SCHEMBL8560625 0.91 HRH3 (0.35) MAPTTHRBHRH3MEN1KMT2A
SCHEMBL8565280 0.88 UTS2R (0.42) MAPTHRH3UTS2R
SCHEMBL8560299 0.87 UTS2R (0.41) HRH3UTS2R
SCHEMBL8563224 0.87 MAPT (0.36) MAPTTHRBHRH3UTS2R
SCHEMBL8562819 0.87 HRH3 (0.34) BDKRB1HRH3
SCHEMBL8560472 0.86 THRB (0.36) MAPTTHRBHRH3UTS2R
SCHEMBL8558014 0.86 CRBN (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