SCHEMBL22041129

SCHEMBL22041129

C[C@@H]1CC[C@@H](I)N1c1cc(C(F)(F)F)ccc1CN(C)C1(C)CCN(C(=O)n2ccc(C(=O)O)n2)CC1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.90
FAAH O00519 11/20 0.51

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
SCHEMBL20567121 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL30420357 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL20566594 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL30420801 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL20567069 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL30420791 0.95 MGLL (1.00) MGLLFAAH
SCHEMBL22041180 0.91 MGLL (0.90) MGLLFAAH
SCHEMBL24969890 0.87 MGLL (0.83) MGLLFAAH
SCHEMBL20566276 0.86 MGLL (0.81) MGLLFAAH
SCHEMBL30419296 0.86 MGLL (0.81) MGLLFAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020112905-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-06-04 WO disclosed