Sugi Predict

Sugi Predict / Compounds / SCHEMBL3244628

SCHEMBL3244628

SCHEMBL3244628

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C)cc4)CC3)n2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ KCNH2 Q12809 4/20 1.00
▸ SCN5A Q14524 4/20 0.84
▸ SCN4A P35499 1/20 0.81
▸ SCN3A Q9NY46 1/20 0.81

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
SCHEMBL3129247 0.94 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248524 0.93 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL15947681 0.93 SCN9A (0.88) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3129691 0.93 SCN9A (0.88) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3244772 0.92 SCN9A (0.87) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3244028 0.91 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3254401 0.91 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124870 0.91 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL15947682 0.90 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3248042 0.90 SCN9A (0.81) SCN9AKCNH2SCN5ASCN4ASCN3A

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