SCHEMBL29914645

SCHEMBL29914645

CC(C)(C)OC(=O)N1CC=C(c2cccc(O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.57
NAMPT P43490 1/20 0.56
GRM5 P41594 10/20 0.52
GRM1 Q13255 10/20 0.52
ESR2 Q92731 1/20 0.51
HTR6 P50406 1/20 0.48
QDPR P09417 1/20 0.47
SOS1 Q07889 1/20 0.47
CYP11B2 P19099 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
SCHEMBL1364792 1.00 PDK4 (0.57) PDK4NAMPTGRM5GRM1ESR2
SCHEMBL7831576 0.89 PDK4 (0.58) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL2811392 0.88 PDK4 (0.60) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL22619074 0.88 PDK4 (0.48) PDK4NAMPTGRM5GRM1ESR2
SCHEMBL2239831 0.87 NAMPT (0.66) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL30014227 0.87 PDK4 (0.56) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL13261659 0.87 PDK4 (0.56) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL902871 0.87 PDK4 (0.56) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL3988457 0.87 PDK4 (0.56) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL904049 0.86 NAMPT (0.61) PDK4NAMPTGRM5GRM1ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119421709-A Indazole-containing macrocyclic compounds and uses thereof 荣山医药股份有限公司 2025-02-11 CN disclosed
CN-115867546-B Salt and crystalline forms of GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2024-10-18 CN disclosed
CN-110612294-B Human cerebulin ligands and bifunctional compounds comprising same 阿尔维纳斯运营股份有限公司 2024-01-16 CN disclosed
CN-115974840-A Human cereblon ligand and bifunctional compound comprising same 阿尔维纳斯运营股份有限公司 2023-04-18 CN disclosed
CN-115867546-A Salts and crystalline forms of GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-03-28 CN disclosed
CN-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 CN disclosed
CN-111094300-B Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-09-16 CN disclosed