SCHEMBL17685265

SCHEMBL17685265

FC(F)(F)c1cccnc1-c1ccc(-c2ncc[nH]2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.49
SCN5A Q14524 4/20 0.38
SCN9A Q15858 4/20 0.38

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
SCHEMBL8536119 0.79 TAAR1 (0.47) TRPV1
SCHEMBL5170401 0.74 NISCH (0.46)
SCHEMBL4972991 0.72 TRPV1 (0.52) TRPV1
SCHEMBL773131 0.72 CSNK1A1 (0.49) SCN9A
SCHEMBL29360220 0.72 CSNK1A1 (0.49) SCN9A
SCHEMBL19072717 0.69 TRPV1 (0.53) TRPV1SCN5ASCN9A
SCHEMBL24015066 0.69 CASP6 (0.45)
SCHEMBL30228006 0.69 CASP6 (0.45)
SCHEMBL4974349 0.68 TRPV1 (0.58) TRPV1
SCHEMBL4765463 0.68 ADRA2A (0.47) TRPV1

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-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 EP claimed