SCHEMBL27768146

SCHEMBL27768146

COc1ccc(O)c(C2(O)C(=O)N(Cc3ccc(C(F)(F)F)o3)c3cccc(Cl)c32)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.55
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
GHSR Q92847 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL3599169 0.90 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3606143 0.89 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3601991 0.82 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3593472 0.80 SCN9A (0.78) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3609902 0.80 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3605775 0.78 SCN9A (0.49) SCN9ATP53MAPT
SCHEMBL3601900 0.77 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4044136 0.76 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4038607 0.75 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL14221148 0.75 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A

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
CN-101627039-A Spiro (furo [3, 2-c] pyridine-3-3 ' -indol) -2' (1'h)-one derivatives and related compounds for the treatment of sodium-channel mediated diseases, such as pain XENON PHARMACEUTICALS INC 2010-01-13 CN disclosed