SCHEMBL28335994

SCHEMBL28335994

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC(OCc3cc(Cl)cc(Cl)c3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.46
▸ SCN7A Q01118 4/20 0.41
▸ SCN5A Q14524 4/20 0.41
▸ DRD4 P21917 8/20 0.38
▸ SIGMAR1 Q99720 8/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ SCN1A P35498 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ TMEM97 Q5BJF2 2/20 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 SCHEMBL16759005 0.88 SCN9A (0.47) SCN9ASCN7ASCN5ADRD4SIGMAR1
SCHEMBL16759693 0.87 SCN9A (0.46) SCN9ASCN7ASCN5ADRD4SIGMAR1
SCHEMBL17061977 0.86 MGLL (0.41) SCN9ASCN7ASCN5ADRD4SIGMAR1
SCHEMBL16771085 0.86 SCN9A (0.51) SCN9ASCN7ASCN5ADRD4SIGMAR1
SCHEMBL16770695 0.85 SCN9A (0.63) SCN9ASCN7ASCN5ADRD4SIGMAR1
SCHEMBL28336566 0.84 SCN9A (0.43) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL28338308 0.82 SCN9A (0.47) SCN9ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL16758977 0.81 SCN7A (0.60) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL28338328 0.81 HRH1 (0.49) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL16759635 0.81 SCN9A (0.61) SCN9ASCN7ASCN5ASCN4A

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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