SCHEMBL20168607

SCHEMBL20168607

CC(C)(C)C(=O)OCOC(=O)CCCNc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 20/20 0.65
PLA2G7 Q13093 2/20 0.34
ABHD6 Q9BV23 2/20 0.34

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
SCHEMBL20168055 0.91 MGLL (0.63) MGLL
SCHEMBL20167994 0.87 MGLL (0.66) MGLLPLA2G7ABHD6
SCHEMBL20168517 0.84 MGLL (0.68) MGLLPLA2G7ABHD6
SCHEMBL20168756 0.81 MGLL (0.43) MGLLPLA2G7ABHD6
SCHEMBL20137028 0.79 MGLL (1.00) MGLLPLA2G7ABHD6
SCHEMBL20168534 0.76 MGLL (0.67) MGLLPLA2G7ABHD6
SCHEMBL20167289 0.73 MGLL (0.78) MGLLPLA2G7ABHD6
SCHEMBL15094825 0.71 MGLL (0.55) MGLLPLA2G7ABHD6
SCHEMBL20168755 0.71 MGLL (0.50) MGLLPLA2G7ABHD6
Hydrochloric Acid SCHEMBL20167952 0.71 MGLL (0.54) 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