SCHEMBL22041763

SCHEMBL22041763

O=C(N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCOCC2)CC1)n1ccc(CO)n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.79
MGLL Q99685 8/20 0.74
ABHD6 Q9BV23 6/20 0.61
CYP2D6 P10635 1/20 0.49
PLA2G7 Q13093 3/20 0.49

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
SCHEMBL30302068 0.88 FAAH (1.00) FAAHMGLLABHD6
SCHEMBL20566605 0.88 FAAH (1.00) FAAHMGLLABHD6
SCHEMBL20503623 0.85 FAAH (0.73) FAAHMGLLABHD6CYP2D6PLA2G7
SCHEMBL30419852 0.85 MGLL (1.00) FAAHMGLLABHD6CYP2D6
SCHEMBL20567166 0.85 MGLL (1.00) FAAHMGLLABHD6CYP2D6
SCHEMBL30302146 0.85 FAAH (0.80) FAAHMGLLABHD6CYP2D6PLA2G7
SCHEMBL20567214 0.85 FAAH (0.80) FAAHMGLLABHD6CYP2D6PLA2G7
SCHEMBL21271364 0.84 FAAH (0.71) FAAHMGLLABHD6CYP2D6PLA2G7
SCHEMBL24971297 0.83 FAAH (0.77) FAAHMGLLABHD6CYP2D6PLA2G7
SCHEMBL15093918 0.81 MGLL (0.73) FAAHMGLLABHD6CYP2D6PLA2G7

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-2020112905-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-06-04 WO disclosed