SCHEMBL3251407

SCHEMBL3251407

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(CCCO)CC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.64
▸ KCNH2 Q12809 1/20 0.62
▸ SCN5A Q14524 1/20 0.62
▸ RAD52 P43351 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 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
SCHEMBL3249544 0.83 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL3247138 0.82 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3115533 0.81 SCN9A (0.62) SCN9AKCNH2SCN5A
SCHEMBL3246253 0.81 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3246606 0.81 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3240604 0.81 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3236267 0.80 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3245142 0.80 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3126498 0.80 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3243975 0.80 SCN9A (0.73) 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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