SCHEMBL25639745

SCHEMBL25639745

CC(C)(C)OC(=O)c1ccn(CC(=O)N2CCN(Cc3ccc(C(F)(F)F)c(-c4nnco4)c3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.36
MGLL Q99685 2/20 0.34
FAAH O00519 2/20 0.33
NOTUM Q6P988 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL20567150 0.88 MGLL (0.46) MGLLFAAH
SCHEMBL30302082 0.88 MGLL (0.46) MGLLFAAH
SCHEMBL20567175 0.83 GPR119 (0.46) FAAHNOTUMGPR119IDO1TDO2
SCHEMBL20571263 0.78 NOTUM (0.43) MGLLFAAHNOTUML3MBTL1
SCHEMBL25487268 0.78 FAAH (0.42) MGLLFAAH
SCHEMBL20567003 0.76 FAAH (0.55) MGLLFAAH
SCHEMBL30302147 0.76 FAAH (0.55) MGLLFAAH
SCHEMBL23015481 0.75 NOTUM (0.35) NOTUM
SCHEMBL20571739 0.74 ATM (0.39) MGLLNOTUML3MBTL1
SCHEMBL25487263 0.72 GPR119 (0.46) GPR119IDO1TDO2IDO2

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
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed