SCHEMBL806710

SCHEMBL806710

COc1ccc(Nc2nc(C(=O)N3CCCC(C)[C@@H]3C)c(C)s2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 9/20 0.65
TRPC6 Q9Y210 9/20 0.65
TRPA1 O75762 2/20 0.65
CACNA1C Q13936 2/20 0.65
SCN5A Q14524 2/20 0.65
TRPV1 Q8NER1 2/20 0.65
TRPV4 Q9HBA0 2/20 0.65
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 2/20 0.41
GALR1 P47211 4/20 0.41
GALR2 O43603 4/20 0.41
SCD O00767 1/20 0.38

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
SCHEMBL798400 1.00 TRPC3 (0.65) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806708 0.83 TRPC3 (0.68) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458213 0.80 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458205 0.80 TRPC3 (0.83) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798463 0.79 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459111 0.79 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL30186173 0.79 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789038 0.78 TRPC3 (0.77) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806600 0.77 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458201 0.75 TRPC3 (0.80) TRPC3TRPC6TRPA1CACNA1CSCN5A

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-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed