SCHEMBL3248844

SCHEMBL3248844

CC(=O)Nc1cccc(Nc2ncnc(N3CCC[C@H](c4nc5cc(C)ccc5[nH]4)C3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.56
▸ KCNH2 Q12809 2/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL3248831 1.00 SCN9A (0.56) SCN9AKCNH2SCN5AKDM4ECYP2D6
SCHEMBL3241952 0.91 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3239808 0.82 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL31550522 0.78 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3245295 0.78 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3245283 0.78 SCN9A (0.59) SCN9AKCNH2SCN5A
SCHEMBL3246396 0.76 SCN9A (0.70) SCN9AKCNH2SCN5A
SCHEMBL3239595 0.76 SCN9A (0.50) SCN9AKCNH2SCN5ACYP2D6CYP2C9
SCHEMBL3239573 0.76 SCN9A (0.50) SCN9AKCNH2SCN5ACYP2D6CYP2C9
SCHEMBL3250276 0.75 SCN9A (0.57) 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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