SCHEMBL20168767

SCHEMBL20168767

CC(C)(C)OC(=O)CCCOc1cc(C(F)(F)F)ccc1CN1CCNCC1C(=O)OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 20/20 0.49
CYP2D6 P10635 1/20 0.36
ABHD6 Q9BV23 1/20 0.36

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
SCHEMBL20168799 0.86 MGLL (0.65) MGLLCYP2D6ABHD6
SCHEMBL23111753 0.85 MGLL (0.41) MGLLCYP2D6ABHD6
SCHEMBL20168796 0.81 MGLL (0.41) MGLLCYP2D6ABHD6
SCHEMBL28323581 0.80 MGLL (0.53) MGLLCYP2D6ABHD6
SCHEMBL15094641 0.79 MGLL (0.58) MGLLCYP2D6ABHD6
SCHEMBL20136929 0.78 MGLL (0.79) MGLLCYP2D6ABHD6
SCHEMBL20168515 0.77 MGLL (0.65) MGLL
SCHEMBL20168534 0.77 MGLL (0.67) MGLLABHD6
SCHEMBL19974302 0.76 MGLL (0.44) MGLLCYP2D6ABHD6
SCHEMBL20168740 0.76 MGLL (0.66) MGLLABHD6

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