SCHEMBL7913238

SCHEMBL7913238

Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CC3CC2CNc2cncc(C(F)(F)F)n2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.68
▸ HCRTR2 O43614 13/20 0.68

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
SCHEMBL3390658 1.00 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL261791 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3387829 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3388531 0.88 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL3385234 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL262353 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL7908825 0.85 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL3386326 0.83 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL7917283 0.82 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL2471240 0.82 HCRTR1 (0.62) 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-2010063663-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
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