SCHEMBL3246154

SCHEMBL3246154

COc1cccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(NC(C)=O)c4)n3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.65
▸ FGFR3 P22607 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN5A Q14524 1/20 0.48

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
SCHEMBL3236527 0.91 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3251498 0.90 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3247695 0.87 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3236280 0.85 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3128028 0.84 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3241240 0.83 SCN9A (0.51) SCN9AKCNH2SCN5A
SCHEMBL3125831 0.83 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3126769 0.82 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3121899 0.82 SCN9A (0.64) SCN9AGAAKMT2AKCNH2SCN5A
SCHEMBL3248840 0.81 SCN9A (0.63) SCN9AKCNH2SCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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