SCHEMBL19734441

SCHEMBL19734441

O=C1C(c2ccc3c(c2)OCO3)c2ccccc2N1Cc1ccc(C(F)(F)F)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.57
SCN7A Q01118 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
GSK3B P49841 3/20 0.38
ADK P55263 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL15314993 0.87 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18606884 0.87 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734397 0.84 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18748271 0.84 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734398 0.83 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734525 0.83 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15312943 0.81 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18750551 0.81 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3597197 0.81 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15316319 0.81 SCN9A (0.47) 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
WO-2017218920-A1 ASYMMETRIC SYNTHESIS OF FUNAPIDE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-12-21 WO disclosed