SCHEMBL30527043

SCHEMBL30527043

O=C(O)NCC(=CF)COc1ccc2c(c1)CN(C1CC1)C2=O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.73
▸ MAOB P27338 1/20 0.61
▸ AOC3 Q16853 8/20 0.54

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
SCHEMBL23068725 1.00 MAOA (0.73) MAOAMAOBAOC3
SCHEMBL23068726 1.00 MAOA (0.73) MAOAMAOBAOC3
SCHEMBL22462026 0.90 MAOA (0.75) MAOAMAOBAOC3
SCHEMBL22462028 0.90 MAOA (0.75) MAOAMAOBAOC3
SCHEMBL21041147 0.87 MAOA (0.66) MAOAMAOBAOC3
SCHEMBL21042113 0.87 MAOA (0.66) MAOAMAOBAOC3
SCHEMBL30527046 0.87 MAOA (0.66) MAOAMAOBAOC3
SCHEMBL22477278 0.85 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL21041091 0.85 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL22462073 0.85 MAOA (1.00) MAOAMAOBAOC3

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-109810041-B Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-08-15 — — CN disclosed
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