SCHEMBL30261612

SCHEMBL30261612

CC(C)(C)OC(=O)c1cc(C2CC2)c(OCc2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 4/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ SCN9A Q15858 13/20 0.43
▸ SCN5A Q14524 3/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL662496 0.85 NPC1 (0.46) MRGPRX4NPC1
SCHEMBL17423083 0.83 SCN7A (0.51) SCN7AMRGPRX4SCN9ASCN5APTGDR2
SCHEMBL16759678 0.83 SCN7A (0.70) SCN7ASCN9ASCN5A
SCHEMBL17061721 0.83 SCN9A (0.48) SCN7ASCN9ASCN5APTGDR2
SCHEMBL16771119 0.82 SCN7A (0.48) SCN7ASCN9ASCN5A
SCHEMBL16770998 0.82 SCN7A (0.48) SCN7ASCN9ASCN5A
SCHEMBL16771113 0.81 SCN7A (0.48) SCN7ASCN9ASCN5A
SCHEMBL30261496 0.81 SCN9A (0.44) SCN9ASCN5A
SCHEMBL23861709 0.80 SCN7A (0.45) SCN7AMRGPRX4SCN9ASCN5APTGDR2
SCHEMBL18571084 0.80 SCN7A (0.46) SCN7AMRGPRX4SCN9ASCN5APTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 — — WO disclosed
Send feedback