SCHEMBL7909261

SCHEMBL7909261

Cc1ccc(-n2cccn2)c(C(=O)N2CC(C)[C@@H](C)C[C@H]2CNc2cnc(C(F)(F)F)cn2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.58
HCRTR2 O43614 8/20 0.54

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
SCHEMBL263053 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL7916068 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL295417 0.89 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3386651 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL261968 0.80 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL295410 0.78 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL261791 0.75 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3387829 0.75 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL288847 0.73 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL16277612 0.73 HCRTR1 (1.00) 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
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed