SCHEMBL1398666

SCHEMBL1398666

Cc1cn2c(C(=O)NC[C@@H]3CCN3C(=O)c3ccccc3-c3ccc(C)c(C)c3)cnc2s1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.44
HCRTR2 O43614 16/20 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
SCHEMBL1398811 1.00 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398614 1.00 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398667 0.87 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398846 0.87 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398688 0.87 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398814 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398902 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398703 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398622 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398617 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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