SCHEMBL28844267

SCHEMBL28844267

O=C(Cl)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)cc1F.O=C(Cl)c1ccc(C2CC2)c(Cl)c1F

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.69
▸ SCN5A Q14524 2/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL17423019 0.90 SCN9A (0.82) SCN9ASCN5ASCN1ASCN2ASCN3A
SCHEMBL15543308 0.82 SCN9A (0.80) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL19429993 0.82 SCN9A (1.00) SCN9ASCN5ASCN1ASCN2ASCN3A
SCHEMBL18570786 0.79 SCN9A (0.74) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL15599293 0.77 SCN9A (0.71) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL18570787 0.76 SCN9A (0.70) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL23677146 0.75 SCN9A (0.67) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL19411391 0.75 SCN9A (0.73) SCN9ASCN5ASCN7A
SCHEMBL15543440 0.74 SCN9A (0.68) SCN9ASCN5ASCN1ASCN2ASCN7A
SCHEMBL22912688 0.74 SCN9A (0.66) SCN9ASCN5ASCN1ASCN2ASCN7A

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-106715418-A Therapeutic compounds and methods of use thereof 基因泰克公司 2017-05-24 — — CN disclosed
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