SCHEMBL19488283

SCHEMBL19488283

CCCNCc1nc2c(F)cc(C#Cc3ccc4c(c3)CCc3nc([C@@H]5CCCN5)[nH]c3-4)cc2[nH]1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL19488603 0.89 SCN10A (0.40) SCN10A
SCHEMBL10201771 0.86 SCN10A (0.37) SCN10A
SCHEMBL19488797 0.80 SCN10A (0.34) SCN10A
SCHEMBL19488604 0.76 SCN10A (0.39) SCN10A
SCHEMBL10201775 0.75 SCN10A (0.52) SCN10A
SCHEMBL16938792 0.73 SCN10A (0.43) SCN10A
SCHEMBL19488493 0.73
SCHEMBL12406080 0.72 SCN10A (0.39) SCN10A
SCHEMBL12406137 0.71
SCHEMBL14758535 0.71 SCN10A (0.39) SCN10A

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed