SCHEMBL1398521

SCHEMBL1398521

Cc1cccc(-c2sc(C)nc2C(=O)N2CC[C@H]2CNC(=O)c2c(C)nc3sccn23)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.86
HCRTR2 O43614 20/20 0.86

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
SCHEMBL1398588 1.00 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1398721 1.00 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1398552 0.93 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1398792 0.92 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL1398643 0.92 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL1398571 0.92 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL1398826 0.92 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398647 0.92 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398775 0.92 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398800 0.92 HCRTR1 (0.74) 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