SCHEMBL3247208

SCHEMBL3247208

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(n4cc(-c5cccc(C(F)(F)F)c5)cn4)CC3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.63
▸ SCN5A Q14524 3/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ IDH2 P48735 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 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 0.89 SCN9A (0.67) SCN9ASCN5AKCNH2
SCHEMBL3246882 0.85 SCN9A (0.63) SCN9ASCN5AKCNH2
SCHEMBL3238014 0.84 SCN9A (0.60) SCN9ASCN5AKCNH2KDM4E
SCHEMBL3238916 0.81 SCN9A (0.65) SCN9ASCN5AKCNH2IDH2MEN1
SCHEMBL3248518 0.81 SCN9A (0.57) SCN9ASCN5AKCNH2
SCHEMBL3246884 0.80 SCN9A (0.57) SCN9ASCN5AKCNH2
SCHEMBL3242560 0.80 SCN9A (0.57) SCN9ASCN5AKCNH2
SCHEMBL17722061 0.78 SCN9A (1.00) SCN9A
SCHEMBL3240604 0.77 SCN9A (0.78) SCN9ASCN5AKCNH2
SCHEMBL3244511 0.76 SCN9A (0.69) SCN9ASCN5AKCNH2

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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