SCHEMBL10722397

SCHEMBL10722397

NC/C(=C/F)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 5/20 0.55
MAOA P21397 5/20 0.55
MAOB P27338 5/20 0.55
DAO P14920 2/20 0.55
AOC3 Q16853 3/20 0.46
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
AKR1B1 P15121 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PAM P19021 1/20 0.37

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
SCHEMBL10724983 1.00 AOC2 (0.55) AOC2MAOAMAOBDAOAOC3
SCHEMBL10722411 1.00 AOC2 (0.55) AOC2MAOAMAOBDAOAOC3
Ammonia Solution, Strong SCHEMBL11133049 0.98 AOC2 (0.53) AOC2MAOAMAOBDAOAOC3
Ammonia Solution, Strong SCHEMBL11133048 0.98 AOC2 (0.53) AOC2MAOAMAOBDAOAOC3
SCHEMBL1295183 0.89 AOC2 (0.49) AOC2MAOAMAOBDAOAOC3
SCHEMBL1295225 0.89 AOC2 (0.49) AOC2MAOAMAOBDAOAOC3
SCHEMBL1295180 0.89 AOC2 (0.49) AOC2MAOAMAOBDAOAOC3
Hydrochloric Acid SCHEMBL1295025 0.87 AOC2 (0.47) AOC2MAOAMAOBDAOAOC3
Hydrochloric Acid SCHEMBL1295029 0.87 AOC2 (0.47) AOC2MAOAMAOBDAOAOC3
SCHEMBL27912802 0.85 CES1 (0.46) AOC2MAOAMAOBDAOCES1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP claimed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US claimed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP claimed
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP disclosed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US disclosed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP disclosed