SCHEMBL1398967

SCHEMBL1398967

COc1ccc(-c2sc(C)nc2C(=O)N2CCC2CN)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 18/20 0.63

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
SCHEMBL1398848 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1398867 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1398890 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1398755 0.87 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1398757 0.87 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1398540 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398795 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1398942 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1398681 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1398680 0.84 HCRTR1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed