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SCHEMBL29445552

SCHEMBL29445552

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ TFPI P10646 1/20 0.54
▸ PTH1R Q03431 1/20 0.52
▸ SCTR P47872 1/20 0.52

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
SCHEMBL30419550 1.00 GLP1R (0.55) GLP1RKEAP1TFPIPTH1RSCTR
SCHEMBL29445553 0.92 TFPI (0.59) KEAP1TFPI
SCHEMBL8895830 0.91 TFPI (0.57) GLP1RKEAP1TFPIPTH1RSCTR
SCHEMBL8893440 0.91 TFPI (0.57) GLP1RKEAP1TFPIPTH1RSCTR
SCHEMBL30168712 0.90 GLP1R (0.59) GLP1RTFPI
SCHEMBL8896224 0.89 GLP1R (0.53) GLP1RKEAP1TFPIPTH1RSCTR
SCHEMBL30631742 0.89 GLP1R (0.51) GLP1RKEAP1
SCHEMBL29836295 0.89 GLP1R (0.58) GLP1RTFPI
SCHEMBL29836533 0.87 GLP1R (0.57) GLP1RPTH1RSCTR
SCHEMBL29836394 0.87 GLP1R (0.62) GLP1RTFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341522-B Antibacterial peptide and application thereof 海南大学 2023-06-23 — — CN claimed
CN-114106102-A Combined antibacterial peptide with antibacterial activity on streptococcus mutans and application thereof 海南大学 2022-03-01 — — CN claimed
CN-114106102-A Combined antibacterial peptide with antibacterial activity on streptococcus mutans and application thereof 海南大学 2022-03-01 — — CN disclosed
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