SCHEMBL16229693

SCHEMBL16229693

C(#Cc1ccc(-c2c[nH]c([C@@H]3CCCN3)n2)cc1)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PARP1 P09874 5/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CHRM5 P08912 5/20 0.31
CHRM3 P20309 5/20 0.31
CHRM2 P08172 5/20 0.31
CHRM1 P11229 4/20 0.31
CHRM4 P08173 4/20 0.31

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
SCHEMBL12328159 0.99 SCN10A (0.34) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL15373032 0.92 SCN10A (0.32) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL15105935 0.92 CHRNB2 (0.38) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL882749 0.92 CHRNB2 (0.38) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL883089 0.92 CHRNB2 (0.38) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL10177443 0.90 CHRNB2 (0.39) SCN10ANR1H4CHRNB2CHRNA7CHRNA4
SCHEMBL1357749 0.89 SCN10A (0.31) SCN10A
SCHEMBL1357750 0.89 SCN10A (0.31) SCN10A
SCHEMBL12328015 0.85 MKNK1 (0.30) CHRNB2CHRNA7CHRNA4MKNK1
SCHEMBL1293343 0.85 NR1H4 (0.44) SCN10ANR1H4CHRNB2CHRNA7CHRNA4

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-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed