SCHEMBL29068361

SCHEMBL29068361

CC(C)(C)OC(=O)N1CCC(C(COC(F)C(F)F)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
MMP13 P45452 1/20 0.48
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL23212046 0.85 MMP13 (0.53) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL31668220 0.84 DPP4 (0.53) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL23211714 0.83 MMP13 (0.48) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL23211854 0.83 MMP13 (0.51) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL5705714 0.83 MMP13 (0.56) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL29068347 0.82 MMP13 (0.50) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL23212019 0.81 MMP13 (0.49) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL5940502 0.81 MMP13 (0.52) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL5705674 0.81 MMP13 (0.49) GPR119MMP13DPP4MEN1KMT2A
SCHEMBL21384665 0.80 MMP13 (0.48) GPR119MMP13DPP4MEN1KMT2A

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
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed