SCHEMBL28063993

SCHEMBL28063993

O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 19/20 0.69
SCN10A Q9Y5Y9 19/20 0.69

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
SCHEMBL28827905 0.91 SCN8A (0.70) SCN8ASCN10A
SCHEMBL28064011 0.91 SCN8A (0.69) SCN8ASCN10A
SCHEMBL28063981 0.84 SCN8A (0.69) SCN8ASCN10A
SCHEMBL15901652 0.83 SCN10A (0.69) SCN8ASCN10A
SCHEMBL28063979 0.83 SCN8A (0.70) SCN8ASCN10A
Bromide SCHEMBL16777889 0.82 SCN10A (0.68) SCN8ASCN10A
SCHEMBL28064012 0.82 SCN8A (0.67) SCN8ASCN10A
SCHEMBL15561727 0.82 SCN8A (1.00) SCN8ASCN10A
SCHEMBL15901646 0.81 SCN10A (0.72) SCN8ASCN10A
SCHEMBL15562589 0.80 SCN8A (1.00) SCN8ASCN10A

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-105473554-A Fused piperidine amides as modulators of ion channels VERTEX PHARMA 2016-04-06 CN disclosed