SCHEMBL20179999

SCHEMBL20179999

COc1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 19/20 0.71
ABHD6 Q9BV23 4/20 0.58
PLA2G7 Q13093 2/20 0.58
CYP2D6 P10635 2/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL21571741 0.87 MGLL (0.82) MGLL
SCHEMBL21571712 0.85 MGLL (0.71) MGLLABHD6PLA2G7
SCHEMBL29509808 0.85 MGLL (0.71) MGLLABHD6PLA2G7
SCHEMBL28705661 0.85 MGLL (0.65) MGLLABHD6PLA2G7CYP2D6
SCHEMBL20136935 0.85 MGLL (0.76) MGLLABHD6PLA2G7CYP2D6
SCHEMBL20137142 0.83 MGLL (0.72) MGLLABHD6PLA2G7CYP2D6
SCHEMBL21571738 0.83 MGLL (1.00) MGLL
SCHEMBL29682614 0.83 MGLL (1.00) MGLL
SCHEMBL20137026 0.83 MGLL (1.00) MGLL
SCHEMBL15094264 0.83 MGLL (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed