SCHEMBL21390210

SCHEMBL21390210

O=C(COC1CC(CC(F)(F)F)C1)N[C@H]1CC2(NC(=O)c3ccc4cc(C(F)(F)F)ccc4n3)CC1C2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 1/20 0.45
▸ SCN9A Q15858 18/20 0.38
▸ SCN7A Q01118 4/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ SCN10A Q9Y5Y9 3/20 0.38

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
SCHEMBL21389936 0.87 ATF4 (0.52) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL25962401 0.87 ATF4 (0.52) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL23332922 0.87 ATF4 (0.52) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL21390137 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL21390070 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL25962344 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL23294722 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL21390152 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL21390073 0.78 ATF4 (0.54) ATF4SCN9ASCN7AKCNH2SCN5A
SCHEMBL21389954 0.78 SCN9A (0.43) SCN9ASCN7AKCNH2SCN5ASCN10A

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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