SCHEMBL20179549

SCHEMBL20179549

COc1ccc(CN(CCCC(=O)OC(C)(C)C)c2cc(Cl)ccc2CN2CCNCC2C(=O)OC(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.34
F2 P00734 2/20 0.32
F9 P00740 2/20 0.32
F10 P00742 2/20 0.32
F12 P00748 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
F7 P08709 2/20 0.32
PRSS3 P35030 2/20 0.32
ABHD6 Q9BV23 4/20 0.32
PLA2G7 Q13093 3/20 0.32
MC4R P32245 4/20 0.31
EPHX2 P34913 1/20 0.31
CETP P11597 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL20168796 0.92 MGLL (0.41) MGLLABHD6EPHX2
SCHEMBL20137409 0.82 MGLL (0.52) MGLLABHD6PLA2G7
SCHEMBL29531615 0.82 MGLL (0.52) MGLLABHD6PLA2G7
SCHEMBL15094631 0.77 MMP1 (0.40) MGLLABHD6PLA2G7
SCHEMBL20168514 0.75 MGLL (0.44) MGLLABHD6PLA2G7
SCHEMBL20150069 0.75 MGLL (0.53) MGLLABHD6PLA2G7
SCHEMBL20136986 0.74 MGLL (0.62) MGLLABHD6PLA2G7
SCHEMBL29531245 0.74 MGLL (0.62) MGLLABHD6PLA2G7
SCHEMBL20168767 0.73 MGLL (0.49) MGLLABHD6
SCHEMBL20151855 0.73 MGLL (0.54) MGLLABHD6PLA2G7

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-3541822-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed