SCHEMBL6428000

SCHEMBL6428000

COc1ccc(C2(N)CC2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
MAOA P21397 3/20 0.59
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM1A O60341 3/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31644284 0.78 MAOB (0.56) MAOBMAOACA1CA2CA9
SCHEMBL6425355 0.73 MAOB (0.57) MAOBMAOAKDM1A
SCHEMBL6425356 0.73 MAOB (0.57) MAOBMAOAKDM1A
SCHEMBL895814 0.71 MAOB (0.52) MAOBMAOACA1CA2CA9
SCHEMBL15778838 0.70 KDM1A (0.69) MAOBMAOAKDM1AOPRM1OPRL1
Hydrochloric Acid SCHEMBL18742650 0.69 MAOB (0.50) MAOBMAOACA1CA2CA9
SCHEMBL31525726 0.69 MAOB (0.55) MAOBMAOACA1CA2CA9
SCHEMBL22369871 0.68 MAOB (0.48) MAOBMAOACA1CA2CA9
SCHEMBL11972187 0.68 SLC6A4 (0.51) MAOBMAOACA1CA2CA9
SCHEMBL20901037 0.67 SLC6A4 (0.59) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007614-A1 MONOAMINE OXIDASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 6011 (US) 2005-01-27 WO disclosed