SCHEMBL3255207

SCHEMBL3255207

CC(=O)Nc1cc(Nc2ncnc(N3CCC(c4nc(C5CC5)no4)CC3)n2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.53
▸ GPR119 Q8TDV5 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN5A Q14524 1/20 0.42

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
SCHEMBL3245170 0.96 SCN9A (0.51) SCN9AKCNH2SCN5A
SCHEMBL3242875 0.80 SCN9A (0.64) SCN9A
SCHEMBL3239771 0.79 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3244889 0.79 SCN9A (0.68) SCN9AGPR119KCNH2
SCHEMBL3126769 0.78 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3235112 0.78 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3236280 0.77 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3246288 0.77 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3237717 0.77 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3129834 0.77 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