SCHEMBL1398699

SCHEMBL1398699

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.62
HCRTR2 O43614 20/20 0.62

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
SCHEMBL1398843 0.92 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1398706 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398823 0.86 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3363366 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3363370 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1398855 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398787 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2285519 0.81 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1398719 0.81 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1398671 0.81 HCRTR1 (0.81) 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 disclosed