SCHEMBL21780048

SCHEMBL21780048

NC/C(=C/F)COc1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 5/20 0.52
AOC3 Q16853 13/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 5/20 0.46
DAO P14920 2/20 0.46

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
Trifluoroacetic Acid SCHEMBL21768119 0.94 AOC2 (0.48) AOC2AOC3MAOBMAOADAO
SCHEMBL28901210 0.90 AOC2 (0.42) AOC2AOC3MAOB
SCHEMBL21768105 0.86 CPT2 (0.41) AOC2AOC3MAOB
SCHEMBL21768104 0.86 CPT2 (0.41) AOC2AOC3MAOB
SCHEMBL21780106 0.84 CPT2 (0.43) AOC3MAOB
SCHEMBL21780132 0.80 AOC2 (0.56) AOC2AOC3MAOBMAOADAO
SCHEMBL21780142 0.80 AOC2 (0.56) AOC2AOC3MAOBMAOADAO
SCHEMBL21780087 0.79 AOC3 (0.52) AOC2AOC3MAOBMAOA
Trifluoroacetic Acid SCHEMBL21768159 0.75 AOC3 (0.52) AOC2AOC3MAOBMAOADAO
Trifluoroacetic Acid SCHEMBL21768084 0.75 AOC3 (0.52) AOC2AOC3MAOBMAOADAO

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
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed