SCHEMBL1398644

SCHEMBL1398644

Cc1ccc(-c2sc(C)nc2C(=O)N2CC[C@H]2CNC(=O)c2c(C)nc3sccn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.71
HCRTR2 O43614 15/20 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
SCHEMBL1398872 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398551 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398623 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398594 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398879 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398650 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398561 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398568 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1398705 0.93 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL1398903 0.93 HCRTR1 (0.73) 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 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