SCHEMBL3246882

SCHEMBL3246882

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(n4cc(-c5ccsc5)cn4)CC3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.63
▸ KCNH2 Q12809 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ CTSL P07711 1/20 0.46
▸ CTSC P53634 1/20 0.46

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
SCHEMBL3239384 0.88 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3247208 0.85 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3238014 0.84 SCN9A (0.60) SCN9AKCNH2SCN5A
SCHEMBL3246884 0.81 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3242560 0.81 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3248518 0.81 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3240604 0.78 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL17722061 0.77 SCN9A (1.00) SCN9A
SCHEMBL3247315 0.76 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3248327 0.75 SCN9A (0.74) 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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