SCHEMBL18596238

SCHEMBL18596238

c1ccc(N2[C@@H](c3ccc4[nH]c(C5CCCN5)cc4c3)CC[C@@H]2c2ccc3[nH]c([C@@H]4CCCN4)nc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
PARP1 P09874 5/20 0.35
TAAR1 Q96RJ0 1/20 0.32
CDC7 O00311 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
ROCK1 Q13464 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
PRCP P42785 1/20 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
SCHEMBL16589616 1.00 SCN10A (0.41) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL16592954 1.00 SCN10A (0.41) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL16589617 0.93 SCN10A (0.47) SCN10APARP1
SCHEMBL16592955 0.93 SCN10A (0.47) SCN10APARP1
SCHEMBL237369 0.92 SCN10A (0.46) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL2756362 0.92 SCN10A (0.46) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL18653188 0.92 SCN10A (0.46) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL240403 0.88 SCN10A (0.51) SCN10APARP1
SCHEMBL2756359 0.88 SCN10A (0.51) SCN10APARP1
SCHEMBL237254 0.84 SCN10A (0.55) SCN10APARP1

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
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed