SCHEMBL19994591

SCHEMBL19994591

O=C(O)N1CCC(/C=C/c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 3/20 0.55
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSD11B1 P28845 2/20 0.42
GPR183 P32249 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCR3 P51677 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL19994594 1.00 MAOB (0.55) MAOBMAOAALDH1A1LMNATP53
SCHEMBL19994613 0.91 MAOB (0.49) MAOBMAOAALDH1A1LMNATP53
SCHEMBL19994612 0.91 MAOB (0.49) MAOBMAOAALDH1A1LMNATP53
SCHEMBL27153178 0.86 MAOB (0.54) MAOBMAOALMNAKMT2ANPC1
SCHEMBL27346267 0.86 MAOB (0.54) MAOBMAOALMNAKMT2ANPC1
SCHEMBL19994546 0.86 MAOB (0.54) MAOBMAOALMNAKMT2ANPC1
SCHEMBL19994634 0.85 MAOB (0.55) MAOBMAOAGPR183
SCHEMBL19994654 0.85 MAOB (0.55) MAOBMAOAKMT2ANPC1RAB9A
SCHEMBL19994543 0.85 MAOB (0.55) MAOBMAOAALDH1A1LMNATP53
SCHEMBL19026545 0.85 MAOB (0.43) 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