SCHEMBL28995336

SCHEMBL28995336

N#Cc1ccc(OC/C(=C\F)COC(N)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 3/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
CYP11B2 P19099 3/20 0.41
TRPV4 Q9HBA0 6/20 0.40
DAO P14920 1/20 0.40
CYP11B1 P15538 2/20 0.38
AOC3 Q16853 5/20 0.38

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
SCHEMBL28995338 1.00 AOC2 (0.41) AOC2MAOAMAOBCYP11B2TRPV4
SCHEMBL28995360 0.87 MRGPRX4 (0.45) AOC2MAOAMAOBDAOAOC3
SCHEMBL28995421 0.87 AOC3 (0.37) AOC2MAOAMAOBDAOAOC3
SCHEMBL28995355 0.87 MRGPRX4 (0.45) AOC2MAOAMAOBDAOAOC3
SCHEMBL28995418 0.87 AOC3 (0.37) AOC2MAOAMAOBDAOAOC3
SCHEMBL24147417 0.84 MAOA (0.58) AOC2MAOAMAOBDAOAOC3
SCHEMBL25357512 0.84 MAOA (0.58) AOC2MAOAMAOBDAOAOC3
Hydrochloric Acid SCHEMBL28995344 0.83 MAOA (0.57) AOC2MAOAMAOBDAOAOC3
Hydrochloric Acid SCHEMBL28995346 0.83 MAOA (0.57) AOC2MAOAMAOBDAOAOC3
SCHEMBL28995399 0.82 AOC3 (0.46) AOC2MAOAMAOBDAOAOC3

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-115916337-A Haloallylamine diamine oxidase inhibitors 法玛西斯有限公司 2023-04-04 CN disclosed