SCHEMBL28338328

SCHEMBL28338328

O=C(OC(=O)C(F)(F)F)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 17/20 0.49
▸ CCR3 P51677 17/20 0.49
▸ KCNH2 Q12809 12/20 0.49
▸ SCN9A Q15858 3/20 0.45
▸ SCN1A P35498 1/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ SCN7A Q01118 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.40

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
SCHEMBL28336566 0.91 SCN9A (0.43) HRH1CCR3KCNH2SCN9ASCN1A
Trifluoroacetic Acid SCHEMBL16759246 0.88 HRH1 (0.56) HRH1CCR3KCNH2SCN9A
SCHEMBL16758975 0.87 CCR3 (0.49) HRH1CCR3KCNH2SCN9ASCN1A
SCHEMBL16770993 0.87 HRH1 (0.61) HRH1CCR3KCNH2SCN9A
SCHEMBL16770800 0.86 SCN9A (0.53) HRH1CCR3KCNH2SCN9A
SCHEMBL21825328 0.86 FFAR1 (0.46) HRH1CCR3KCNH2SCN9ASCN1A
SCHEMBL28335968 0.86 SCN9A (0.40) HRH1CCR3SCN9ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL16759039 0.82 SCN9A (0.56) HRH1CCR3KCNH2SCN9ASCN1A
SCHEMBL17061977 0.82 MGLL (0.41) SCN9ASCN1ASCN4ASCN7ASCN5A
Trifluoroacetic Acid SCHEMBL16759198 0.81 SCN9A (0.59) HRH1CCR3KCNH2SCN9ASCN1A

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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