SCHEMBL20168791

SCHEMBL20168791

Cc1ccc(CN2CCN(C(=O)O)C(C(C)(C)C)C2)c(OCC(=O)OC(C)(C)C)c1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.47
▸ PTGDR2 Q9Y5Y4 5/20 0.36
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 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
SCHEMBL20136985 0.80 MGLL (0.62) MGLL
SCHEMBL20137135 0.73 MGLL (0.51) MGLLPTGDR2
SCHEMBL4108586 0.69 PTGDR2 (0.67) PTGDR2
SCHEMBL20136944 0.67 ALOX5AP (0.40) MGLLALOX5APFEN1
SCHEMBL3773661 0.67 AGTR2 (0.50) —
SCHEMBL1713555 0.67 PTGDR2 (0.56) PTGDR2
SCHEMBL4114701 0.67 PTGDR2 (0.63) MGLLPTGDR2
SCHEMBL20137051 0.67 MGLL (0.63) MGLL
SCHEMBL1714986 0.66 PTGDR2 (0.57) PTGDR2
SCHEMBL21996912 0.66 S1PR5 (0.40) MGLLPTGDR2

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
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