SCHEMBL30700799

SCHEMBL30700799

CC(C)(C)OC(=O)N1CCC(OCc2ccc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.56
MGLL Q99685 2/20 0.47
EPHX2 P34913 1/20 0.46
STS P08842 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
TGFBR1 P36897 1/20 0.44
MAPT P10636 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
RORC P51449 1/20 0.42
TACR1 P25103 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL16758967 0.87 MGLL (0.54) GPR119MGLLSTSKEAP1NFE2L2
SCHEMBL31071575 0.85 GPR119 (0.53) GPR119EPHX2STSTGFBR1MAPT
SCHEMBL5534867 0.82 CARM1 (0.55) GPR119STSTGFBR1MAPTRORC
SCHEMBL22462754 0.82 GPR119 (0.58) GPR119STSMRGPRX4MAPT
SCHEMBL29716374 0.80 GPR119 (0.56) GPR119STS
SCHEMBL19409580 0.78 MGLL (0.46) GPR119MGLLEPHX2STSTGFBR1
SCHEMBL13060199 0.78 DPP4 (0.52) GPR119MGLL
SCHEMBL19409666 0.78 IDO1 (0.43) GPR119MGLLEPHX2MAPTRORC
SCHEMBL25326239 0.76 GPR119 (0.51) GPR119EPHX2
SCHEMBL3922455 0.76 GPR119 (0.69) GPR119STSMAPTTACR1

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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed