SCHEMBL3244889

SCHEMBL3244889

CCCc1noc(C2CCN(c3ncnc(Nc4ccc(C)c(NC(C)=O)c4)n3)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.68
▸ GPR119 Q8TDV5 1/20 0.46
▸ KCNH2 Q12809 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
SCHEMBL3240405 0.88 SCN9A (0.78) SCN9AGPR119KCNH2
SCHEMBL3246637 0.86 SCN9A (0.67) SCN9AGPR119KCNH2
SCHEMBL3240813 0.82 SCN9A (0.68) SCN9AKCNH2
SCHEMBL17722190 0.81 SCN9A (1.00) SCN9A
SCHEMBL3255207 0.79 SCN9A (0.53) SCN9AGPR119KCNH2
SCHEMBL3245170 0.77 SCN9A (0.51) SCN9AKCNH2
SCHEMBL3243879 0.77 SCN9A (0.65) SCN9A
SCHEMBL3237289 0.76 SCN9A (0.60) SCN9AKCNH2
SCHEMBL3252741 0.75 SCN9A (0.69) SCN9AKCNH2
SCHEMBL3243432 0.75 SCN9A (0.67) SCN9AKCNH2

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