SCHEMBL20167062

SCHEMBL20167062

CCOC(=O)C1(COc2c(C#N)cc(F)cc2CN2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.63
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL20137034 0.90 MGLL (0.62) MGLLALDH1A1POLBKDM4E
SCHEMBL20168721 0.88 MGLL (0.54) MGLLALDH1A1POLBKDM4EMEN1
SCHEMBL20137106 0.80 MGLL (0.75) MGLL
SCHEMBL29561175 0.80 MGLL (0.75) MGLL
SCHEMBL20151763 0.78 MGLL (0.84) MGLL
SCHEMBL20137015 0.78 MGLL (0.69) MGLL
SCHEMBL20136968 0.78 MGLL (0.53) MGLLALDH1A1POLBKDM4EMEN1
SCHEMBL20136931 0.77 MGLL (1.00) MGLL
SCHEMBL20168789 0.75 MGLL (0.62) MGLLALDH1A1POLBKDM4EMEN1
SCHEMBL20158332 0.70 MGLL (0.79) 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 2 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
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed