SCHEMBL29808308

SCHEMBL29808308

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.41
▸ GLP1R P43220 9/20 0.41
▸ SCTR P47872 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.40
▸ GCGR P47871 1/20 0.39
▸ BACE1 P56817 4/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL30093349 0.94 GLP1R (0.41) C5AR1GLP1RSCTR
SCHEMBL30441425 0.92 SLC15A2 (0.43) C5AR1SLC15A2BACE1CTSDBACE2
SCHEMBL29514645 0.92 BACE1 (0.44) C5AR1GLP1RSCTRBACE1CTSD
SCHEMBL29514797 0.91 BACE1 (0.43) C5AR1GLP1RSCTRBACE1CTSD
SCHEMBL29514698 0.91 BACE1 (0.43) C5AR1GLP1RSCTRBACE1CTSD
SCHEMBL30240002 0.90 ENPEP (0.43) GLP1RBACE1
SCHEMBL29519574 0.87 SLC15A2 (0.47) C5AR1SLC15A2
SCHEMBL29588307 0.87 SLC15A2 (0.47) C5AR1SLC15A2
SCHEMBL31514341 0.86 BACE1 (0.38) GLP1RSCTRSLC15A2GCGRBACE1
SCHEMBL29530561 0.86 SLC15A2 (0.39) C5AR1GLP1RSCTRSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115920069-B Double-targeting vector based on integrin alpha v beta 3 and alpha 5 beta 1 antagonistic peptide self-assembly design and preparation method and application thereof 安徽医科大学 2024-06-28 — — CN claimed
CN-115920069-A Double-targeting vector designed based on self-assembly of integrin alpha v beta 3 and alpha 5 beta 1 antagonistic peptides and preparation method and application thereof 安徽医科大学 2023-04-07 — — CN claimed
CN-114796123-A Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2022-07-29 — — CN claimed
CN-115920069-B Double-targeting vector based on integrin alpha v beta 3 and alpha 5 beta 1 antagonistic peptide self-assembly design and preparation method and application thereof 安徽医科大学 2024-06-28 — — CN disclosed
CN-115920069-A Double-targeting vector designed based on self-assembly of integrin alpha v beta 3 and alpha 5 beta 1 antagonistic peptides and preparation method and application thereof 安徽医科大学 2023-04-07 — — CN disclosed
CN-114796123-A Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2022-07-29 — — CN disclosed
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