SCHEMBL28338308

SCHEMBL28338308

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC[C@H](Oc3cc(Cl)cc(Cl)c3)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.47
▸ FFAR1 O14842 4/20 0.36
▸ SCN7A Q01118 1/20 0.35
▸ SCN5A Q14524 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL28338309 0.88 SCN9A (0.48) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16758846 0.87 SCN9A (0.47) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16759402 0.87 SCN9A (0.47) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16758848 0.87 SCN9A (0.47) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16759719 0.87 SCN9A (0.51) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16758947 0.87 SCN9A (0.51) SCN9AFFAR1SCN7ASCN5A
SCHEMBL16758944 0.87 SCN9A (0.51) SCN9AFFAR1SCN7ASCN5A
SCHEMBL28336566 0.84 SCN9A (0.43) SCN9ASCN7ASCN5A
SCHEMBL28335994 0.82 SCN9A (0.46) SCN9ASCN7ASCN5A
SCHEMBL28338328 0.81 HRH1 (0.49) SCN9ASCN7ASCN5A

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
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 — — CN disclosed
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