SCHEMBL3235112

SCHEMBL3235112

CC(=O)Nc1cc(Nc2ncnc(N3CCC(Oc4ccc(Cl)cc4)CC3)n2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.66
▸ KCNH2 Q12809 2/20 0.58
▸ SCN5A Q14524 2/20 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
SCHEMBL3126769 0.93 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3248254 0.92 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3114540 0.89 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL3245173 0.88 SCN9A (0.85) SCN9AKCNH2SCN5A
SCHEMBL3241081 0.85 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3250601 0.85 SCN9A (0.70) SCN9A
SCHEMBL3242540 0.85 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3130210 0.84 SCN9A (0.85) SCN9AKCNH2SCN5A
SCHEMBL3247460 0.83 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3116561 0.83 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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