SCHEMBL21810893

SCHEMBL21810893

O=C(N[C@H]1COc2ccc(-c3ccccn3)cc2C1)c1cc2n(n1)CC(CCOCC(F)(F)F)O2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.37
SCN5A Q14524 13/20 0.36
KCNH2 Q12809 9/20 0.36
USP30 Q70CQ3 4/20 0.35
SLC6A3 Q01959 1/20 0.33
GHSR Q92847 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL21810894 1.00 SCN9A (0.37) SCN9ASCN5AKCNH2USP30SLC6A3
SCHEMBL23645310 0.78 ALDH1A1 (0.38) SCN9ASCN5AKCNH2CNR1
SCHEMBL23645311 0.78 ALDH1A1 (0.38) SCN9ASCN5AKCNH2CNR1
SCHEMBL31069239 0.76 KCNH2 (0.35) SCN9ASCN5AKCNH2
SCHEMBL23645392 0.76 KCNH2 (0.35) SCN9ASCN5AKCNH2
SCHEMBL23645391 0.76 KCNH2 (0.35) SCN9ASCN5AKCNH2
SCHEMBL23645344 0.74 MALT1 (0.39)
SCHEMBL23645342 0.74 MALT1 (0.39)
SCHEMBL23645319 0.74 MALT1 (0.40) SCN9A
SCHEMBL23645321 0.74 MALT1 (0.40) SCN9A

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-2020054670-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed