SCHEMBL30011057

SCHEMBL30011057

CC(C)(C)OC(=O)N1CCC(C#Cc2cccnc2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.51
▸ POLB P06746 1/20 0.47
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ HPGDS O60760 1/20 0.41

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
SCHEMBL23858223 1.00 GPR119 (0.51) GPR119POLBCCNA2CDK2GRM5
SCHEMBL2792027 0.88 GPR119 (0.43) GPR119POLBGRM5HPGDS
SCHEMBL2792024 0.88 GPR119 (0.43) GPR119POLBGRM5HPGDS
SCHEMBL1199881 0.83 GPR119 (0.58) GPR119POLBGRM5HPGDS
SCHEMBL23858285 0.83 PIK3CD (0.38) GRM5
SCHEMBL20839829 0.81 GPR119 (0.44) GPR119
SCHEMBL31605050 0.81 STS (0.42) GPR119
SCHEMBL25258371 0.81 GPR119 (0.44) GPR119POLB
SCHEMBL29774310 0.81 GPR119 (0.44) GPR119
SCHEMBL6356443 0.81 GPR119 (0.56) GPR119POLBCCNA2CDK2HPGDS

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-115362151-A Aryl piperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 — — CN disclosed
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