SCHEMBL2928392

SCHEMBL2928392

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 13/20 0.55

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
SCHEMBL2928396 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2928390 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2931134 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1338525 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2930430 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1338527 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2930433 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2932228 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2932232 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2932230 0.93 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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed