SCHEMBL19994598

SCHEMBL19994598

C#CCN1CCC(C=Cc2ccc(C#N)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 19/20 1.00
▸ MAOA P21397 6/20 0.71

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
SCHEMBL19994596 1.00 MAOB (1.00) MAOBMAOA
SCHEMBL20015286 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL20015297 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL20015282 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL20015284 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL20015287 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL20015296 0.82 MAOB (1.00) MAOBMAOA
SCHEMBL20015288 0.80 MAOB (1.00) MAOBMAOA
SCHEMBL20015295 0.80 MAOB (1.00) MAOBMAOA
SCHEMBL20015293 0.80 MAOB (1.00) MAOBMAOA

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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