SCHEMBL28995355

SCHEMBL28995355

Cc1cc(OCC(=CF)COC(N)=O)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
AR P10275 1/20 0.38
AOC3 Q16853 10/20 0.38
MAOB P27338 2/20 0.37
AOC2 O75106 1/20 0.36
DAO P14920 1/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL28995360 1.00 MRGPRX4 (0.45) MRGPRX4ARAOC3MAOBAOC2
SCHEMBL28995338 0.87 AOC2 (0.41) AOC3MAOBAOC2DAOMAOA
SCHEMBL28995336 0.87 AOC2 (0.41) AOC3MAOBAOC2DAOMAOA
SCHEMBL28995421 0.86 AOC3 (0.37) AOC3MAOBAOC2DAOMAOA
SCHEMBL28995418 0.86 AOC3 (0.37) AOC3MAOBAOC2DAOMAOA
SCHEMBL25358539 0.84 AOC2 (0.54) AOC3MAOBAOC2DAOMAOA
SCHEMBL24147435 0.84 AOC2 (0.54) AOC3MAOBAOC2DAOMAOA
Hydrochloric Acid SCHEMBL28995393 0.83 AOC2 (0.52) AOC3MAOBAOC2DAOMAOA
Hydrochloric Acid SCHEMBL28995391 0.83 AOC2 (0.52) AOC3MAOBAOC2DAOMAOA
SCHEMBL28995399 0.81 AOC3 (0.46) AOC3MAOBAOC2DAOMAOA

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