SCHEMBL3238014

SCHEMBL3238014

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(n4cc(-c5ccc6c(c5)OCO6)cn4)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.60
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ FYN P06241 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ MAP3K7 O43318 1/20 0.41
▸ TAB1 Q15750 1/20 0.41

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 0.87 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3247208 0.84 SCN9A (0.63) SCN9AKCNH2SCN5AKDM4E
SCHEMBL3246882 0.84 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3242560 0.80 SCN9A (0.57) SCN9AKCNH2SCN5AMAP3K7TAB1
SCHEMBL3246884 0.80 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3242053 0.79 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3248518 0.79 SCN9A (0.57) SCN9AKCNH2SCN5A
SCHEMBL3251492 0.77 SCN9A (0.56) SCN9AKCNH2SCN5AMAPT
SCHEMBL3244794 0.76 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3240604 0.76 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
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