SCHEMBL4038971

SCHEMBL4038971

O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C1(I)CO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.54
SCN7A Q01118 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
ALDH1A1 P00352 6/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CHRM1 P11229 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15312938 0.74 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734464 0.74 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763103 0.74 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763101 0.74 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18606630 0.73 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305683 0.73 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305849 0.73 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734523 0.73 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734522 0.73 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3593828 0.72 SCN9A (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076514-A1 SPIRO (FURO Ý3, 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. (CA) 2009-07-08 EP disclosed
WO-2008046049-A1 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. (CA) 2008-04-17 WO disclosed