SCHEMBL1572380

SCHEMBL1572380

Cc1cccc(-c2sc(C)nc2C(=O)N2C(CNC(=O)c3cccc4c3OC(C)(C)C4)CC3C[C@@H]32)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.62
HCRTR2 O43614 18/20 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
SCHEMBL1572525 1.00 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1571806 0.93 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572085 0.93 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571840 0.86 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1572548 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1572136 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1571931 0.85 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1340419 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571960 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1572351 0.84 HCRTR1 (0.68) 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-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP disclosed