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SCHEMBL29625324

SCHEMBL29625324

CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.62
▸ PTH1R Q03431 1/20 0.60
▸ GLP1R P43220 7/20 0.60
▸ GCGR P47871 3/20 0.60
▸ CALCA P06881 1/20 0.59
▸ KEAP1 Q14145 1/20 0.59

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
SCHEMBL31182780 0.91 C5AR1 (0.66) CXCR4GLP1RGCGR
SCHEMBL29922398 0.91 GLP1R (0.69) CXCR4RXFP1PTH1RGLP1RGCGR
SCHEMBL30536952 0.91 GLP1R (0.70) PTH1RGLP1RGCGR
SCHEMBL29523146 0.90 RXFP1 (0.64) CXCR4RXFP1PTH1R
SCHEMBL30029352 0.89 GLP1R (0.67) CXCR4RXFP1PTH1RGLP1RGCGR
SCHEMBL30750752 0.89 GLP1R (0.73) GLP1RGCGR
SCHEMBL31020887 0.89 CXCR4 (0.68) CXCR4RXFP1GLP1RGCGRKEAP1
SCHEMBL30874225 0.89 GLP1R (0.73) PTH1RGLP1RGCGR
SCHEMBL30029354 0.88 GLP1R (0.68) CXCR4PTH1RGLP1RGCGR
Cecropin B SCHEMBL29355118 0.88 KEAP1 (0.69) RXFP1PTH1RGLP1RGCGRKEAP1

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-114344451-B Application of Reg4 antibacterial peptide in treatment of pseudomonas aeruginosa infectious pneumonia 上海市肺科医院 2023-09-26 — — CN disclosed
CN-114409758-A Application of Reg4 antibacterial peptide in treatment of pathogenic escherichia coli infection 上海市儿科医学研究所 2022-04-29 — — CN disclosed
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