SCHEMBL30567962

SCHEMBL30567962

CC(C)(C)OC(=O)N1CCC(C(c2ccncc2)c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.56
MMP13 P45452 1/20 0.49
NR1H3 Q13133 3/20 0.46
NR1H2 P55055 2/20 0.46
STS P08842 1/20 0.46

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
SCHEMBL23212010 1.00 GPR119 (0.56) GPR119MMP13NR1H3NR1H2STS
SCHEMBL21382279 0.91 GPR119 (0.55) GPR119NR1H3NR1H2STS
SCHEMBL30567978 0.91 GPR119 (0.55) GPR119NR1H3NR1H2STS
SCHEMBL23211967 0.91 GPR119 (0.55) GPR119NR1H3NR1H2STS
SCHEMBL30330234 0.91 GPR119 (0.55) GPR119NR1H3NR1H2STS
SCHEMBL21381945 0.86 MGLL (0.40) GPR119NR1H3NR1H2
SCHEMBL23211867 0.86 MGLL (0.40) GPR119NR1H3NR1H2
SCHEMBL22773313 0.83 GPR119 (0.59) GPR119MMP13
SCHEMBL22491546 0.83 GPR119 (0.59) GPR119MMP13
SCHEMBL22773261 0.79 MMP13 (0.49) GPR119MMP13STS

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