SCHEMBL22273329

SCHEMBL22273329

O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC(C(O)O)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 17/20 0.79
▸ ABHD6 Q9BV23 13/20 0.79
▸ CYP2D6 P10635 1/20 0.79
▸ PLA2G7 Q13093 7/20 0.78

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
SCHEMBL18064772 0.90 MGLL (0.80) MGLLABHD6CYP2D6PLA2G7
SCHEMBL18064910 0.89 MGLL (0.79) MGLLABHD6CYP2D6PLA2G7
SCHEMBL24309036 0.89 MGLL (0.79) MGLLABHD6CYP2D6PLA2G7
Elcubragistat SCHEMBL15100632 0.88 MGLL (1.00) MGLLABHD6CYP2D6PLA2G7
SCHEMBL18064780 0.88 MGLL (0.78) MGLLABHD6CYP2D6PLA2G7
SCHEMBL18064875 0.88 MGLL (0.74) MGLLABHD6CYP2D6PLA2G7
Elcubragistat SCHEMBL20168257 0.88 MGLL (0.98) MGLLABHD6CYP2D6PLA2G7
Elcubragistat SCHEMBL20166890 0.88 MGLL (0.98) MGLLABHD6CYP2D6PLA2G7
Elcubragistat SCHEMBL29430943 0.88 MGLL (0.98) MGLLABHD6CYP2D6PLA2G7
SCHEMBL23349060 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 — — WO disclosed
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