SCHEMBL30956353

SCHEMBL30956353

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.52
▸ SCTR P47872 1/20 0.52
▸ KLK7 P49862 1/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ F2 P00734 4/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ GCGR P47871 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
SCHEMBL30956350 0.99 GLP1R (0.53) GLP1RSCTRKLK7C5AR1F2
SCHEMBL30956348 0.97 GLP1R (0.51) GLP1RSCTRKLK7C5AR1F2
SCHEMBL30956346 0.97 GLP1R (0.50) GLP1RSCTRKLK7C5AR1F2
SCHEMBL30956349 0.95 GLP1R (0.48) GLP1RSCTRKLK7C5AR1F2
SCHEMBL30956351 0.93 GLP1R (0.53) GLP1RSCTRC5AR1KEAP1GCGR
SCHEMBL30956352 0.93 GLP1R (0.53) GLP1RSCTRKEAP1GCGR
SCHEMBL30956347 0.91 GLP1R (0.51) GLP1RSCTRKEAP1GCGR
SCHEMBL30956345 0.91 GLP1R (0.51) GLP1RSCTRKEAP1GCGR
SCHEMBL29624477 0.90 MC4R (0.50) GLP1RSCTRC5AR1KEAP1GCGR
SCHEMBL30495584 0.89 GLP1R (0.60) GLP1RSCTRKEAP1GCGR

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-118197454-A Polypeptide mixture detection method based on nanometer pore canal 南京大学 2024-06-14 — — CN disclosed
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