SCHEMBL20168514

SCHEMBL20168514

CC(OC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CN1CCNCC1C(=O)OC(C(F)(F)F)C(F)(F)F)OC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.44
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.32
ABHD6 Q9BV23 2/20 0.31
PLA2G7 Q13093 1/20 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
SCHEMBL20168796 0.83 MGLL (0.41) MGLLABHD6
SCHEMBL29561179 0.82 MGLL (0.65) MGLLABHD6PLA2G7
SCHEMBL20137074 0.82 MGLL (0.65) MGLLABHD6PLA2G7
SCHEMBL20168740 0.82 MGLL (0.66) MGLLABHD6
SCHEMBL20168794 0.80 MGLL (0.44) MGLLABHD6PLA2G7
SCHEMBL20137052 0.76 MGLL (0.67) MGLLABHD6PLA2G7
SCHEMBL20179549 0.75 MGLL (0.34) MGLLABHD6PLA2G7
SCHEMBL20151849 0.75 MGLL (0.56) MGLLABHD6PLA2G7
SCHEMBL20137125 0.75 MGLL (0.39) MGLLSLC6A4ALDH1A1
SCHEMBL20166773 0.74 MGLL (0.46) MGLLALDH1A1SMN1; SMN2ABHD6PLA2G7

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