SCHEMBL21389954

SCHEMBL21389954

O=C(COC1CC(CC(F)(F)F)C1)NC1(CCNC(=O)c2ccc3cc(C(F)(F)F)ccc3n2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.43
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ SCN7A Q01118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
SCHEMBL25962401 0.83 ATF4 (0.52) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL23332922 0.83 ATF4 (0.52) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL21389936 0.83 ATF4 (0.52) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL23332896 0.83 SCN9A (0.43) SCN9ASCN10A
SCHEMBL23332923 0.79 SCN9A (0.40) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL23332750 0.79 SCN9A (0.40) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL23332736 0.79 SCN9A (0.40) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL21390210 0.78 ATF4 (0.45) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL21390137 0.74 ATF4 (0.54) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL23294722 0.74 ATF4 (0.54) SCN9ASCN10ASCN7AKCNH2SCN5A

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-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 — — WO disclosed
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