SCHEMBL19734397

SCHEMBL19734397

COc1cc2c(cc1[C@H]1C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc31)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.51
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
GNRHR P30968 2/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL18748271 1.00 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734525 0.91 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15316319 0.89 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19718067 0.89 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15314993 0.88 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15312943 0.88 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18606884 0.86 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734441 0.84 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734398 0.83 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281105 0.82 SCN9A (0.45) 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