SCHEMBL1398535

SCHEMBL1398535

Cc1ccc(-c2ccccc2C(=O)N2CC[C@H]2CNC(=O)c2c(C)nc3sccn23)cc1C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.51
HCRTR2 O43614 12/20 0.51
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4787256 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1398732 0.92 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1398641 0.92 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1398696 0.92 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1398814 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL4786488 0.86 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398777 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1398842 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1398634 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1398667 0.86 HCRTR1 (0.44) 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