SCHEMBL3245002

SCHEMBL3245002

CC(=O)Nc1cccc(Nc2ncnc(N3CCc4ccccc4C3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ SCN5A Q14524 1/20 1.00
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58

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
SCHEMBL3248957 0.91 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3243277 0.91 SCN9A (0.82) SCN9AKCNH2SCN5A
SCHEMBL3244375 0.91 SCN9A (0.82) SCN9AKCNH2SCN5A
SCHEMBL3245682 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3247020 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3241177 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3241235 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL13478356 0.90 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3236612 0.89 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3253470 0.89 SCN9A (0.79) 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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