SCHEMBL19994629

SCHEMBL19994629

O=C(O)N1CCC(C=Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.61
▸ MAOA P21397 1/20 0.61
▸ CCR2 P41597 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ P4HB P07237 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42

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
SCHEMBL19994626 1.00 MAOB (0.61) MAOBMAOACCR2LMNAMAPT
SCHEMBL27399824 0.87 MAOB (0.57) MAOBMAOACCR2LMNAHPGD
SCHEMBL31556553 0.87 MAOB (0.57) MAOBMAOACCR2LMNAHPGD
SCHEMBL27399822 0.87 MAOB (0.57) MAOBMAOACCR2LMNAHPGD
SCHEMBL19994579 0.84 MAOB (0.57) MAOBMAOALMNANOTUMHPGD
SCHEMBL19994578 0.84 MAOB (0.57) MAOBMAOALMNANOTUMHPGD
SCHEMBL30836010 0.84 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL20015393 0.84 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL20015408 0.84 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL19994618 0.83 MAOB (0.58) MAOBMAOAMAPTNPSR1NFE2L2

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-3426634-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES University of Ljubljana (SI) 2019-01-16 — — EP disclosed
WO-2018055096-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF LJUBLJANA (SI) 2018-03-29 — — WO disclosed
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