SCHEMBL16795652

SCHEMBL16795652

COc1cccc(COc2cccc(Br)c2)c1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.88
MRGPRX4 Q96LA9 1/20 0.60
MAOA P21397 1/20 0.57
IDO1 P14902 1/20 0.57
AGXT P21549 1/20 0.57

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
SCHEMBL16795550 0.93 MAOB (1.00) MAOBMRGPRX4MAOA
SCHEMBL7917245 0.90 MAOB (0.77) MAOBMRGPRX4MAOA
SCHEMBL4404036 0.88 MAOB (1.00) MAOBMRGPRX4MAOAIDO1AGXT
SCHEMBL28075228 0.87 MAOB (0.75) MAOB
SCHEMBL16795567 0.85 MAOB (0.79) MAOBMRGPRX4MAOA
SCHEMBL16710547 0.84 MAOB (0.71) MAOBMRGPRX4IDO1AGXT
SCHEMBL13462942 0.83 MAOB (0.69) MAOBMRGPRX4IDO1AGXT
SCHEMBL13263642 0.82 MAOB (0.79) MAOBMRGPRX4IDO1AGXT
SCHEMBL29666660 0.82 MAOB (1.00) MAOBMRGPRX4MAOA
SCHEMBL73864 0.82 MAOB (1.00) MAOBMRGPRX4MAOA

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-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed