SCHEMBL28336566

SCHEMBL28336566

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.43
▸ ADRB2 P07550 4/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ SCN7A Q01118 3/20 0.40
▸ SCN5A Q14524 3/20 0.40
▸ HRH1 P35367 2/20 0.39
▸ CCR3 P51677 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN1A P35498 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.38
▸ PLA2G1B P04054 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL28338328 0.91 HRH1 (0.49) SCN9ASCN7ASCN5AHRH1CCR3
Trifluoroacetic Acid SCHEMBL28336567 0.88 HRH1 (0.45) SCN9AADRB2EPHX2SCN7ASCN5A
SCHEMBL16759619 0.87 SCN9A (0.44) SCN9AADRB2EPHX2SCN7ASCN5A
SCHEMBL16771117 0.86 HRH1 (0.48) SCN9AADRB2EPHX2SCN7ASCN5A
SCHEMBL21825328 0.85 FFAR1 (0.46) SCN9AEPHX2SCN7ASCN5AHRH1
SCHEMBL28335968 0.85 SCN9A (0.40) SCN9ASCN7ASCN5AHRH1CCR3
SCHEMBL16771185 0.85 SCN9A (0.58) SCN9AADRB2EPHX2SCN7ASCN5A
SCHEMBL28335994 0.84 SCN9A (0.46) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL28338308 0.84 SCN9A (0.47) SCN9ASCN7ASCN5A
SCHEMBL17061977 0.81 MGLL (0.41) SCN9ASCN7ASCN5ASCN1ASCN4A

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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