SCHEMBL13087366

SCHEMBL13087366

CCCNCc1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5)n4)cc3)cc2)c[nH]1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.31
MKNK1 Q9BUB5 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
SCHEMBL19488471 0.86 SCN10A (0.40) SCN10A
SCHEMBL18901882 0.82
SCHEMBL882749 0.81 CHRNB2 (0.38) SCN10AMKNK1
SCHEMBL883089 0.81 CHRNB2 (0.38) SCN10AMKNK1
SCHEMBL15105935 0.81 CHRNB2 (0.38) SCN10AMKNK1
SCHEMBL19488583 0.80 SCN10A (0.39) SCN10A
SCHEMBL10177443 0.80 CHRNB2 (0.39) SCN10AMKNK1
SCHEMBL12682669 0.76 MKNK1 (0.40) SCN10AMKNK1
SCHEMBL18731381 0.76
SCHEMBL10234314 0.75 SCN10A (0.34) SCN10AMKNK1

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
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed