SCHEMBL22799482

SCHEMBL22799482

Cc1cc(C(=O)NCCOc2ccc3cc(C(F)(F)F)ccc3n2)cc(C(N)C(C)(C)O)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
GCG P01275 1/20 0.40
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
GPR52 Q9Y2T5 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
SCHEMBL22798208 0.83 SCN9A (0.49) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL22797814 0.81 SCN9A (0.51) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL30450047 0.81 SCN9A (0.51) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL22799399 0.81 SCN9A (0.49) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL20595193 0.81 SCN9A (0.63) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL20595163 0.80 SCN9A (0.49) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL22798253 0.78 SCN9A (0.48) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL22809603 0.75 SCN9A (0.46) SCN9ASCN10AGCGSCN7AKCNH2
SCHEMBL28354796 0.74 SCN9A (0.48) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL22798297 0.73 SCN9A (0.50) SCN9ASCN10AGCGSCN7AKCNH2

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
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP claimed