SCHEMBL1398547

SCHEMBL1398547

Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2cccc3c2CCCO3)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.71
HCRTR2 O43614 20/20 0.71

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
SCHEMBL1398773 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398601 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398702 0.88 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398774 0.88 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398743 0.88 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398729 0.87 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398578 0.87 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398844 0.87 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398920 0.87 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1571932 0.86 HCRTR1 (0.62) HCRTR1HCRTR2

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 4 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 claimed
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