SCHEMBL20167289

SCHEMBL20167289

CC(C)(C)OC(=O)CCCNc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 18/20 0.78
ABHD6 Q9BV23 2/20 0.42
CYP2D6 P10635 1/20 0.42
PLA2G7 Q13093 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL20136967 0.88 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137387 0.81 MGLL (0.67) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20151802 0.78 MGLL (0.83) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137047 0.78 MGLL (0.50) MGLLABHD6CYP2D6PLA2G7MEN1
SCHEMBL20137045 0.78 MGLL (0.50) MGLLABHD6CYP2D6PLA2G7MEN1
SCHEMBL20137122 0.77 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20151756 0.77 MGLL (0.71) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137393 0.77 MGLL (0.80) MGLLABHD6CYP2D6PLA2G7
SCHEMBL29509676 0.77 MGLL (0.80) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137028 0.77 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7

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