SCHEMBL20168796

SCHEMBL20168796

COc1ccc(CN(CCCC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2CN2CCNCC2C(=O)OC(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.41
RXRA P19793 3/20 0.33
NR1H2 P55055 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKAB2 O43741 3/20 0.32
PRKAG1 P54619 3/20 0.32
PRKAA2 P54646 3/20 0.32
PRKAA1 Q13131 3/20 0.32
PRKAG3 Q9UGI9 3/20 0.32
PRKAG2 Q9UGJ0 3/20 0.32
PRKAB1 Q9Y478 3/20 0.32
EPHX2 P34913 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP2D6 P10635 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
HTR2A P28223 2/20 0.31

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
SCHEMBL20179549 0.92 MGLL (0.34) MGLLEPHX2ABHD6
SCHEMBL20168514 0.83 MGLL (0.44) MGLLABHD6
SCHEMBL20136986 0.82 MGLL (0.62) MGLLCYP2D6ABHD6
SCHEMBL29531245 0.82 MGLL (0.62) MGLLCYP2D6ABHD6
SCHEMBL20137383 0.81 MGLL (0.52) MGLLCYP2D6ABHD6
SCHEMBL20168767 0.81 MGLL (0.49) MGLLCYP2D6ABHD6
SCHEMBL20168799 0.79 MGLL (0.65) MGLLCYP2D6ABHD6
SCHEMBL20166173 0.79 MGLL (0.39) MGLLRXRANR1H2MEN1KMT2A
SCHEMBL20179522 0.78 MGLL (0.56) MGLL
SCHEMBL29531297 0.78 MGLL (0.47) MGLLRXRANR1H2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541822-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed