SCHEMBL16795673

SCHEMBL16795673

Fc1cc(F)cc(OCc2cccc(Br)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.69
MAOA P21397 3/20 0.55
PARP15 Q460N3 3/20 0.55
PARP10 Q53GL7 3/20 0.55
PARP14 Q460N5 1/20 0.54
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL16795545 0.88 MAOB (0.88) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL8306880 0.86 MAOB (0.71) MAOBMAOAPARP15PARP10PARP14
SCHEMBL4426765 0.84 MAOB (0.67) MAOBMAOAPARP10IDO1AGXT
SCHEMBL4404036 0.82 MAOB (1.00) MAOBMAOAPARP15PARP10PARP14
SCHEMBL16795515 0.81 MAOB (1.00) MAOBMAOAMRGPRX4
SCHEMBL13469158 0.80 MAOB (0.82) MAOBMAOAPARP15PARP10PARP14
SCHEMBL5042093 0.80 ALOX5 (0.55) MAOBMAOAFFAR1
SCHEMBL2226602 0.79 MAOB (0.62) MAOBMAOAFFAR1
SCHEMBL16808938 0.79 MAOB (0.61) MAOBMAOAIDO1MRGPRX4
SCHEMBL12327547 0.79 MAOB (0.51) MAOBMAOAPARP10MRGPRX4

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