SCHEMBL20104660

SCHEMBL20104660

Cc1cc(OC/C(=C\F)CN)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.55
▸ MAOA P21397 5/20 0.55
▸ AOC2 O75106 4/20 0.55
▸ DAO P14920 2/20 0.55
▸ AOC3 Q16853 14/20 0.50

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
SCHEMBL20709043 0.82 MAOB (0.52) MAOBMAOAAOC2DAOAOC3
SCHEMBL24147435 0.77 AOC2 (0.54) MAOBMAOAAOC2DAOAOC3
SCHEMBL25358539 0.77 AOC2 (0.54) MAOBMAOAAOC2DAOAOC3
SCHEMBL28600640 0.77 ALDH1A1 (0.54) —
SCHEMBL21864984 0.77 MAOA (0.50) MAOBMAOAAOC2DAOAOC3
SCHEMBL16767553 0.77 AOC3 (0.51) MAOBMAOAAOC2DAOAOC3
SCHEMBL16767551 0.77 AOC3 (0.51) MAOBMAOAAOC2DAOAOC3
SCHEMBL17967919 0.77 MCL1 (0.62) —
SCHEMBL20709044 0.77 MAOB (0.69) MAOBMAOAAOC2DAOAOC3
SCHEMBL20005678 0.77 MAOB (0.69) MAOBMAOAAOC2DAOAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438087-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-02-06 — — EP disclosed
WO-2018073154-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-26 — — WO disclosed
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