SCHEMBL1398574

SCHEMBL1398574

Cc1ccc(-c2ccccc2C(=O)N2CCC2CNC(=O)c2nc3scc(C)n3c2C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.44
HCRTR2 O43614 17/20 0.44
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL1398876 1.00 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398665 1.00 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398842 0.89 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398777 0.89 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398634 0.89 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398892 0.88 HCRTR1 (0.45) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398622 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398617 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398703 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398906 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed