SCHEMBL3251007

SCHEMBL3251007

Cc1c(NC(=O)C2CC2)cccc1Nc1ncnc(N2CCC(OCc3ccc(F)c(F)c3)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.72
▸ KCNH2 Q12809 4/20 0.69
▸ SCN5A Q14524 4/20 0.67
▸ SCN4A P35499 1/20 0.65
▸ SCN3A Q9NY46 1/20 0.65
▸ DRD4 P21917 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL3242755 0.92 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3237162 0.89 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3128104 0.85 SCN9A (0.73) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3247767 0.85 SCN9A (0.83) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3237950 0.84 SCN9A (0.80) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3243698 0.84 SCN9A (0.81) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3247949 0.84 SCN9A (0.70) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3240343 0.84 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248524 0.83 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3242952 0.83 SCN9A (0.68) SCN9AKCNH2SCN5ASCN4ASCN3A

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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