SCHEMBL28696644

SCHEMBL28696644

O=C(Oc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 20/20 0.72
ABHD6 Q9BV23 9/20 0.64
CYP2D6 P10635 1/20 0.64
PLA2G7 Q13093 5/20 0.63

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
SCHEMBL20136992 0.89 MGLL (0.71) MGLLABHD6CYP2D6PLA2G7
SCHEMBL28880189 0.86 MGLL (0.72) MGLLABHD6CYP2D6PLA2G7
SCHEMBL28699470 0.85 MGLL (0.54) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137046 0.84 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137063 0.84 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137123 0.82 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20136939 0.82 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20136940 0.82 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137090 0.82 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL19992767 0.82 MGLL (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed