SCHEMBL3237717

SCHEMBL3237717

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccncc5Cl)no4)CC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.61
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49

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
SCHEMBL3246288 0.90 SCN9A (0.61) SCN9ACNR1CNR2KCNH2SCN5A
SCHEMBL3247034 0.87 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3244522 0.87 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3236316 0.86 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3244864 0.85 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3241895 0.81 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3243841 0.81 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3240813 0.81 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3238916 0.81 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3240405 0.80 SCN9A (0.78) 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