SCHEMBL28335968

SCHEMBL28335968

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3Cl)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.40
▸ SCN1A P35498 4/20 0.40
▸ SCN8A Q9UQD0 4/20 0.40
▸ SCN7A Q01118 2/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ UTS2R Q9UKP6 3/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ GRM2 Q14416 1/20 0.37

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 SCHEMBL28335971 0.88 HRH1 (0.42) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL17061977 0.88 MGLL (0.41) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL16758842 0.87 SCN9A (0.40) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL16771116 0.87 HRH1 (0.43) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL16771001 0.86 SCN9A (0.50) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL28338328 0.86 HRH1 (0.49) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL28336566 0.85 SCN9A (0.43) SCN9ASCN1ASCN8ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28078776 0.82 SCN9A (0.56) SCN9ASCN1ASCN8ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL28336001 0.81 SCN9A (0.55) SCN9ASCN1ASCN8ASCN7ASCN5A
SCHEMBL18662277 0.81 SCN9A (0.56) SCN9ASCN1ASCN8ASCN7ASCN5A

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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