SCHEMBL2930263

SCHEMBL2930263

Cc1cncc(C(=O)NCC2C3CC3CN2C(=O)c2nc(C)sc2-c2cccc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 14/20 0.51

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
SCHEMBL2930269 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2930266 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2928457 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2928455 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2928460 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL496684 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL496685 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2926207 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2930315 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2926210 0.87 HCRTR1 (0.51) 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