SCHEMBL20166173

SCHEMBL20166173

COc1ccc(CN(CCCC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2CN2CCN(C(=O)O)CC2C(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
RXRA P19793 3/20 0.35
NR1H2 P55055 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MC4R P32245 2/20 0.34
ENPP2 Q13822 1/20 0.34
PRKAA2 P54646 7/20 0.34
PRKAB2 O43741 6/20 0.34
PRKAG1 P54619 6/20 0.34
PRKAA1 Q13131 6/20 0.34
PRKAG3 Q9UGI9 6/20 0.34
PRKAG2 Q9UGJ0 6/20 0.34
PRKAB1 Q9Y478 6/20 0.34
NR1H3 Q13133 1/20 0.34
PIK3CA P42336 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR2A P28223 2/20 0.32

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
SCHEMBL20168793 0.91 MEN1 (0.34) MGLLRXRANR1H2MEN1KMT2A
SCHEMBL29531297 0.86 MGLL (0.47) MGLLRXRANR1H2MEN1KMT2A
SCHEMBL20168756 0.84 MGLL (0.43) MGLL
SCHEMBL20168794 0.83 MGLL (0.44) MGLL
SCHEMBL20136986 0.81 MGLL (0.62) MGLL
SCHEMBL29531245 0.81 MGLL (0.62) MGLL
SCHEMBL20166773 0.81 MGLL (0.46) MGLL
SCHEMBL25250466 0.80 MGLL (0.44) MGLL
SCHEMBL20168796 0.79 MGLL (0.41) MGLLRXRANR1H2MEN1KMT2A
SCHEMBL20137383 0.78 MGLL (0.52) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
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
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-9249149-B2 Deuterated derivatives of ruxolitinib CONCERT PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed