SCHEMBL16795684

SCHEMBL16795684

CC1(C)OB(c2cccc(COc3cccc(F)c3)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.53
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
MAOA P21397 2/20 0.47
NR4A2 P43354 1/20 0.46
DGAT1 O75907 1/20 0.45
ACHE P22303 1/20 0.43

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
SCHEMBL4659527 0.95 MAOB (0.57) MAOBLPLLIPGMRGPRX4MAOA
SCHEMBL16795680 0.91 LIPG (0.51) MAOBLPLLIPGMRGPRX4NR4A2
SCHEMBL16795672 0.88 LPL (0.51) MAOBLPLLIPGNR4A2DGAT1
SCHEMBL16795621 0.87 DGAT1 (0.57) MAOBLPLLIPGDGAT1
SCHEMBL4659420 0.86 MAOB (0.56) MAOBLPLLIPGMAOANR4A2
SCHEMBL3619300 0.84 DGAT1 (0.57) MAOBLPLLIPGMAOANR4A2
SCHEMBL16795630 0.83 MAOB (0.55) MAOBLPLLIPGMRGPRX4DGAT1
SCHEMBL21234489 0.82 LPL (0.52) MAOBLPLLIPGDGAT1
SCHEMBL20904633 0.81 LIPG (0.57) LPLLIPG
SCHEMBL24668154 0.81 LPL (0.45) LPLLIPG

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