SCHEMBL21868486

SCHEMBL21868486

C=C(/C=C\C/C(Br)=C\C)C(c1ccc(Br)cc1)N1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 17/20 0.45
MGLL Q99685 13/20 0.45
PLA2G7 Q13093 9/20 0.42

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
SCHEMBL15100761 0.74 ABHD6 (0.77) ABHD6MGLLPLA2G7
SCHEMBL20198161 0.71 ABHD6 (0.69) ABHD6MGLLPLA2G7
SCHEMBL20198149 0.68 MGLL (0.48) ABHD6MGLLPLA2G7
SCHEMBL20408675 0.66 MGLL (0.59) ABHD6MGLLPLA2G7
SCHEMBL26079559 0.64 MGLL (0.57) ABHD6MGLLPLA2G7
SCHEMBL15100763 0.64 MGLL (0.79) ABHD6MGLLPLA2G7
SCHEMBL15100884 0.63 MGLL (1.00) ABHD6MGLLPLA2G7
SCHEMBL28596902 0.62 ABHD6 (0.47) ABHD6MGLLPLA2G7
SCHEMBL16744460 0.62 MGLL (0.76) ABHD6MGLLPLA2G7
SCHEMBL15101013 0.61 ABHD6 (0.61) ABHD6MGLLPLA2G7

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
EP-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 EP disclosed