SCHEMBL16175270

SCHEMBL16175270

CC(C)Oc1ncc(Oc2ccc(C(=O)O)c(F)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 16/20 0.49
▸ SCN5A Q14524 2/20 0.46
▸ ACACB O00763 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ S1PR1 P21453 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
SCHEMBL16175168 0.86 SCN9A (0.45) SCN9ASCN5AACACB
SCHEMBL365992 0.85 SCN9A (0.46) SCN9ASCN5AACACB
SCHEMBL16175392 0.84 SCN9A (0.60) SCN9ASCN5A
SCHEMBL19411389 0.84 SCN9A (0.56) SCN9ASCN5A
SCHEMBL365758 0.84 SCN9A (0.55) SCN9ASCN5A
SCHEMBL15543345 0.81 SCN9A (0.53) SCN9ASCN5A
SCHEMBL365032 0.81 SCN9A (0.46) SCN9ASCN5AACACBS1PR1
SCHEMBL365976 0.79 SCN9A (0.46) SCN9ASCN5AACACB
SCHEMBL15543581 0.79 SCN9A (0.68) SCN9ASCN5A
SCHEMBL16175242 0.79 SCN9A (0.49) SCN9ASCN5AACACB

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
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 — — EP disclosed
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