SCHEMBL14237451

SCHEMBL14237451

COC(C)COc1ccccc1-c1ccc(NC(=O)c2conc2C)nc1N

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 12/20 0.68
SCN5A Q14524 2/20 0.68
SCN9A Q15858 2/20 0.68
SCN2A Q99250 1/20 0.68
SCN3A Q9NY46 1/20 0.68
PDE10A Q9Y233 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
SCN1A P35498 1/20 0.35
RAB9A P51151 1/20 0.35
GRM4 Q14833 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL14237594 0.90 SCN10A (0.57) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237332 0.87 SCN10A (0.72) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237618 0.86 SCN10A (0.71) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL264140 0.84 SCN10A (0.78) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL262908 0.83 SCN10A (0.76) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237569 0.81 SCN10A (0.67) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL262780 0.81 SCN10A (1.00) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237294 0.80 SCN10A (0.69) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237619 0.80 SCN10A (0.66) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL263424 0.78 SCN10A (0.73) SCN10ASCN5ASCN9ASCN2ASCN3A

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-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed