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Sugi Predict / Compounds / SCHEMBL29467548

SCHEMBL29467548

SCHEMBL29467548

CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 1/20 0.62
▸ GCGR P47871 1/20 0.62
▸ GIPR P48546 1/20 0.62
▸ KISS1R Q969F8 9/20 0.59
▸ PTH1R Q03431 3/20 0.59
▸ IL23R Q5VWK5 6/20 0.58
▸ NPY2R P49146 1/20 0.56
▸ GHSR Q92847 1/20 0.56

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
SCHEMBL30869166 0.93 PTH1R (0.66) GLP1RGCGRGIPRKISS1RPTH1R
SCHEMBL24172454 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL19731216 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL16692898 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL19731206 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL16692892 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL16692899 0.92 IL23R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL19731215 0.92 GLP1R (0.61) GLP1RGCGRGIPRKISS1RIL23R
SCHEMBL21185972 0.90 IL23R (0.65) KISS1RIL23R
SCHEMBL29540457 0.89 GLP1R (0.63) GLP1RGCGRGIPRKISS1RIL23R

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
WO-2022262385-A1 SHELLFISH-DERIVED ANTIMICROBIAL PEPTIDE P-AMP108 AND USE THEREOF IN PREPARATION OF DRUG FOR TREATING ACNE 中国科学院南海海洋研究所 2022-12-22 — — WO claimed
CN-114106103-B Antibacterial peptide P-AMP108 from shellfish and application thereof in preparation of medicine for treating acne 中国科学院南海海洋研究所 2022-04-15 — — CN claimed
CN-114106103-A Antibacterial peptide P-AMP108 from shellfish and application thereof in preparation of medicine for treating acne 中国科学院南海海洋研究所 2022-03-01 — — CN claimed
WO-2022262385-A1 SHELLFISH-DERIVED ANTIMICROBIAL PEPTIDE P-AMP108 AND USE THEREOF IN PREPARATION OF DRUG FOR TREATING ACNE 中国科学院南海海洋研究所 2022-12-22 — — WO disclosed
CN-114106103-B Antibacterial peptide P-AMP108 from shellfish and application thereof in preparation of medicine for treating acne 中国科学院南海海洋研究所 2022-04-15 — — CN disclosed
CN-114106103-A Antibacterial peptide P-AMP108 from shellfish and application thereof in preparation of medicine for treating acne 中国科学院南海海洋研究所 2022-03-01 — — CN disclosed
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