SCHEMBL20399201

SCHEMBL20399201

O=C(O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)CO2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.76
FFAR4 Q5NUL3 3/20 0.51
NOTUM Q6P988 1/20 0.40
TRPM8 Q7Z2W7 7/20 0.39
TRPV1 Q8NER1 4/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL2426895 0.89 MGLL (0.62) MGLLFFAR4TRPM8TRPV1EPHX2
SCHEMBL3346329 0.88 MGLL (0.60) MGLLFFAR4
SCHEMBL3350789 0.88 MGLL (0.60) MGLLFFAR4
SCHEMBL3350785 0.88 MGLL (0.60) MGLLFFAR4
SCHEMBL2429904 0.87 MGLL (0.75) MGLLFFAR4
SCHEMBL20397181 0.86 MGLL (1.00) MGLLFFAR4
SCHEMBL20397302 0.86 MGLL (1.00) MGLLFFAR4
SCHEMBL2435729 0.84 MGLL (0.55) MGLL
SCHEMBL2435728 0.84 MGLL (0.55) MGLL
SCHEMBL23859715 0.84 MGLL (0.63) MGLLFFAR4NOTUMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-B9 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2021-01-06 EP claimed
EP-3328849-B1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2020-09-09 EP claimed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO disclosed