SCHEMBL15527152

SCHEMBL15527152

CN(C)C(=O)c1ccc(OCC(=CF)CNC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
AOC3 Q16853 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
AOC2 O75106 5/20 0.40
MAOA P21397 3/20 0.40
DAO P14920 2/20 0.40
TBXAS1 P24557 1/20 0.39
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 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
SCHEMBL15527151 1.00 MAOB (0.52) MAOBAOC3SMN1; SMN2ALDH1A1HPGD
SCHEMBL16767233 0.85 MAOB (0.47) MAOBAOC3SMN1; SMN2ALDH1A1HPGD
SCHEMBL16767234 0.85 MAOB (0.47) MAOBAOC3SMN1; SMN2ALDH1A1HPGD
SCHEMBL16787368 0.83 MAOB (0.58) MAOBAOC3SMN1; SMN2ALDH1A1HPGD
SCHEMBL16767243 0.82 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
SCHEMBL16767516 0.82 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
SCHEMBL16767244 0.82 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL15527460 0.81 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL15527462 0.81 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL16766591 0.81 AOC3 (0.64) MAOBAOC3AOC2MAOADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266332-B Substituted 3-haloallylamine inhibitors of SSAO and uses thereof 勃林格殷格翰国际有限公司 2020-07-24 CN disclosed
EP-2844637-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PharmAxis Ltd (AU) 2015-03-11 EP disclosed
WO-2013163675-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PHARMAXIS LTD. (AU) 2013-11-07 WO disclosed