SCHEMBL20168517

SCHEMBL20168517

CCOC(=O)OC(C)OC(=O)CCCNc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 20/20 0.68
PLA2G7 Q13093 1/20 0.32
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL20167994 0.93 MGLL (0.66) MGLLPLA2G7ABHD6
SCHEMBL20168055 0.91 MGLL (0.63) MGLL
SCHEMBL20168607 0.84 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20166773 0.82 MGLL (0.46) MGLLPLA2G7ABHD6
SCHEMBL20137118 0.81 MGLL (1.00) MGLLPLA2G7ABHD6
SCHEMBL20168794 0.75 MGLL (0.44) MGLLPLA2G7ABHD6
SCHEMBL20137128 0.73 MGLL (1.00) MGLLPLA2G7ABHD6
SCHEMBL20151758 0.73 MGLL (0.76) MGLL
SCHEMBL20151801 0.73 MGLL (0.86) MGLL
SCHEMBL20137005 0.73 MGLL (1.00) MGLLPLA2G7ABHD6

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-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed