SCHEMBL3241240

SCHEMBL3241240

CC(=O)Nc1cc(Nc2ncnc(N3CCN(c4cccc(Cl)c4Cl)CC3)n2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ SCN5A Q14524 1/20 0.50
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47

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
SCHEMBL3241145 0.93 SCN9A (0.54) SCN9AKCNH2SCN5ADRD2
SCHEMBL3240493 0.90 SCN9A (0.64) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL3121899 0.89 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL3248840 0.88 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3236527 0.86 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3249971 0.85 SCN9A (0.64) SCN9AKCNH2SCN5ADRD2
SCHEMBL3124483 0.84 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3246154 0.83 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3236280 0.82 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3249051 0.81 SCN9A (0.46) 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
Send feedback