SCHEMBL21390072

SCHEMBL21390072

O=C(CO[C@@H]1CCN(CC(F)(F)F)C1)NC12CCC1C(NC(=O)c1ccc3cc(C(F)(F)F)ccc3n1)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.38
▸ SCN7A Q01118 4/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ SCN5A Q14524 4/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ ATF4 P18848 1/20 0.36

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
SCHEMBL21390177 0.84 ATF4 (0.47) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL21390071 0.84 ATF4 (0.47) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL25962360 0.84 ATF4 (0.47) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL23332744 0.77 SCN9A (0.40) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL23332817 0.77 SCN9A (0.40) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL25963964 0.77 SCN9A (0.43) SCN9A
SCHEMBL21390182 0.77 SCN9A (0.38) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL23332874 0.75 ATF4 (0.37) SCN9ASCN7AKCNH2SCN5AATF4
SCHEMBL23333309 0.74 SCN9A (0.33) SCN9ASCN7AKCNH2SCN5AATF4
SCHEMBL23332898 0.73 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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