SCHEMBL3241895

SCHEMBL3241895

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccc(C(F)(F)F)cc5)no4)CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.65
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SCN5A Q14524 3/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ GAA P10253 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
SCHEMBL3238916 0.93 SCN9A (0.65) SCN9ALMNAHTTSMN1; SMN2MEN1
SCHEMBL3244864 0.91 SCN9A (0.78) SCN9ASCN5AKCNH2
SCHEMBL3236316 0.90 SCN9A (0.68) SCN9ALMNAHTTSMN1; SMN2MEN1
SCHEMBL3243841 0.88 SCN9A (0.65) SCN9ASCN5AKCNH2
SCHEMBL3247034 0.86 SCN9A (0.67) SCN9AHTTSCN5AKCNH2
SCHEMBL3244522 0.83 SCN9A (0.63) SCN9ASCN5AKCNH2
SCHEMBL3246288 0.83 SCN9A (0.61) SCN9ASCN5AKCNH2
SCHEMBL3240813 0.82 SCN9A (0.68) SCN9ASCN5AKCNH2
SCHEMBL3237717 0.81 SCN9A (0.61) SCN9ASCN5AKCNH2
SCHEMBL3240405 0.81 SCN9A (0.78) 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
Send feedback