SCHEMBL30568010

SCHEMBL30568010

CC(C)(C)OC(=O)N1CCC(=C(c2cccnc2)c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.49
▸ VNN1 O95497 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ NR1H3 Q13133 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
SCHEMBL30149843 1.00 GPR119 (0.49) GPR119VNN1CCNA2CDK2GBA1
SCHEMBL23212048 1.00 GPR119 (0.49) GPR119VNN1CCNA2CDK2GBA1
SCHEMBL30567986 0.90 GPR119 (0.51) GPR119NR1H2NR1H3
SCHEMBL23211871 0.90 GPR119 (0.51) GPR119NR1H2NR1H3
SCHEMBL29734566 0.88 GPR119 (0.54) GPR119NR1H2NR1H3
SCHEMBL22491548 0.88 GPR119 (0.54) GPR119NR1H2NR1H3
SCHEMBL21381728 0.86 VNN1 (0.46) VNN1BRAFMAPK1
SCHEMBL23211806 0.82 POLB (0.46) GPR119CCNA2CDK2MAPK1
SCHEMBL30149847 0.82 POLB (0.46) GPR119CCNA2CDK2MAPK1
SCHEMBL30567965 0.82 POLB (0.46) GPR119CCNA2CDK2MAPK1

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
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