SCHEMBL20168055

SCHEMBL20168055

CCOC(=O)CCCNc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.63
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20168517 0.91 MGLL (0.68) MGLL
SCHEMBL20168607 0.91 MGLL (0.65) MGLL
SCHEMBL20167994 0.89 MGLL (0.66) MGLL
SCHEMBL20137122 0.78 MGLL (1.00) MGLL
SCHEMBL20168515 0.75 MGLL (0.65) MGLLKDM4EALDH1A1
SCHEMBL15094825 0.73 MGLL (0.55) MGLL
SCHEMBL20167289 0.73 MGLL (0.78) MGLL
SCHEMBL20166773 0.73 MGLL (0.46) MGLLALDH1A1
SCHEMBL20168755 0.73 MGLL (0.50) MGLL
Hydrochloric Acid SCHEMBL20167952 0.73 MGLL (0.54) 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