SCHEMBL28501732

SCHEMBL28501732

CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2c(c1)CCN(c1ccccc1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 20/20 0.69

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
SCHEMBL29798655 1.00 AOC3 (0.69) AOC3
SCHEMBL22713787 1.00 AOC3 (0.69) AOC3
SCHEMBL22713741 0.93 AOC3 (0.61) AOC3
SCHEMBL22713827 0.93 AOC3 (0.71) AOC3
SCHEMBL24670159 0.93 AOC3 (0.61) AOC3
SCHEMBL24669290 0.93 AOC3 (0.71) AOC3
SCHEMBL22725916 0.90 AOC3 (0.71) AOC3
SCHEMBL29798714 0.90 AOC3 (0.71) AOC3
SCHEMBL22725918 0.90 AOC3 (0.71) AOC3
SCHEMBL29798468 0.90 AOC3 (0.71) AOC3

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-109988109-B Amine compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed