SCHEMBL20168515

SCHEMBL20168515

CCOC(=O)CCCNc1cc(C(F)(F)F)ccc1CN1CCNCC1C(=O)OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.65
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL20168534 0.91 MGLL (0.67) MGLL
SCHEMBL20168799 0.91 MGLL (0.65) MGLL
SCHEMBL20168740 0.91 MGLL (0.66) MGLL
SCHEMBL20137122 0.79 MGLL (1.00) MGLL
SCHEMBL20168767 0.77 MGLL (0.49) MGLL
SCHEMBL15094641 0.76 MGLL (0.58) MGLL
SCHEMBL19974302 0.75 MGLL (0.44) MGLL
SCHEMBL20168055 0.75 MGLL (0.63) MGLLALDH1A1KDM4E
SCHEMBL19974451 0.74 MGLL (0.53) MGLL
SCHEMBL23111753 0.73 MGLL (0.41) 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