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Sugi Predict / Compounds / SCHEMBL28546320

SCHEMBL28546320

SCHEMBL28546320

C[C@H]1CN(c2ccnc(OCc3ccc(Cl)cc3F)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ GLP1R P43220 11/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.42
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39

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
SCHEMBL30269669 1.00 MAP4K4 (0.47) MAP4K4GLP1RHDAC1GPR119SUV39H2
SCHEMBL23928957 0.89 GLP1R (0.46) GLP1R
SCHEMBL29965773 0.88 GLP1R (0.53) MAP4K4GLP1RHDAC1GPR119SUV39H2
SCHEMBL23964357 0.87 GLP1R (0.47) MAP4K4GLP1RHDAC1GPR119
SCHEMBL24320732 0.87 GLP1R (0.54) MAP4K4GLP1R
SCHEMBL22391741 0.86 GPR119 (0.50) MAP4K4GLP1RGPR119SUV39H2
SCHEMBL29966317 0.83 GLP1R (0.53) MAP4K4GLP1RHDAC1GPR119SUV39H2
SCHEMBL28786496 0.83 GLP1R (0.43) MAP4K4GLP1RHDAC1GPR119SUV39H2
SCHEMBL28786493 0.83 GLP1R (0.43) MAP4K4GLP1RHDAC1GPR119SUV39H2
SCHEMBL24320310 0.82 NR1H2 (0.47) MAP4K4HDAC1GPR119SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566637-B GLP-1 receptor agonists and uses thereof 辉瑞公司 2023-11-14 — — CN disclosed
CN-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 — — CN disclosed