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Sugi Predict / Compounds / SCHEMBL29586236

SCHEMBL29586236

SCHEMBL29586236

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 5/20 0.62
▸ NTSR2 O95665 3/20 0.62
▸ OPRD1 P41143 5/20 0.59
▸ NMUR2 Q9GZQ4 2/20 0.59
▸ NMUR1 Q9HB89 2/20 0.59
▸ SORT1 Q99523 1/20 0.58
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57

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
SCHEMBL30974436 0.90 CALCRL (0.52) NTSR1NTSR2OPRD1NMUR2NMUR1
SCHEMBL30792437 0.90 NMUR2 (0.56) NMUR2NMUR1NPY1RNPY2RNPY4R
SCHEMBL29604581 0.85 NMUR2 (0.77) OPRD1NMUR2NMUR1
SCHEMBL29479234 0.84 NTSR1 (0.66) NTSR1NTSR2OPRD1NMUR2NMUR1
SCHEMBL31280899 0.83 NTSR1 (0.74) NTSR1NTSR2OPRD1SORT1
SCHEMBL29519178 0.83 NMUR2 (0.79) NTSR1NTSR2OPRD1NMUR2NMUR1
SCHEMBL29894426 0.82 NTSR1 (0.63) NTSR1NTSR2OPRD1SORT1
Ovemotide SCHEMBL29538753 0.82 CALCRL (0.56) NTSR1NTSR2OPRD1SORT1
Ovemotide SCHEMBL29413273 0.82 CALCRL (0.56) NTSR1NTSR2OPRD1SORT1
SCHEMBL3539226 0.81 NMUR2 (0.71) OPRD1NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493491-B Polypeptide for preventing or treating ulcerative colitis 清华大学 2023-07-04 — — CN claimed
CN-114468051-A Composition and dairy product containing immunoregulatory peptide and antibacterial peptide 内蒙古伊利实业集团股份有限公司 2022-05-13 — — CN claimed
CN-119978066-A Buffalo milk protein peptide and preparation method and application thereof 广西壮族自治区水牛研究所 2025-05-13 — — CN disclosed
CN-119314557-B Screening method and device of functional peptides, electronic equipment and storage medium 内蒙古蒙牛乳业（集团）股份有限公司 2025-02-25 — — CN disclosed
CN-119314557-A Screening method and device of functional peptides, electronic equipment and storage medium 内蒙古蒙牛乳业（集团）股份有限公司 2025-01-14 — — CN disclosed
CN-118894916-A ACE (angiotensin converting enzyme) inhibitory peptide based on A2 beta-casein as well as preparation method and application thereof 东北农业大学 2024-11-05 — — CN disclosed
CN-117659155-A Casein sleep improvement decapeptide and preparation method and application thereof 华南理工大学 2024-03-08 — — CN disclosed
CN-117659155-A Casein sleep improvement decapeptide and preparation method and application thereof 华南理工大学 2024-03-08 — — CN disclosed
CN-113493491-B Polypeptide for preventing or treating ulcerative colitis 清华大学 2023-07-04 — — CN disclosed
CN-113493491-B Polypeptide for preventing or treating ulcerative colitis 清华大学 2023-07-04 — — CN disclosed
CN-114468051-A Composition and dairy product containing immunoregulatory peptide and antibacterial peptide 内蒙古伊利实业集团股份有限公司 2022-05-13 — — CN disclosed
CN-114468051-A Composition and dairy product containing immunoregulatory peptide and antibacterial peptide 内蒙古伊利实业集团股份有限公司 2022-05-13 — — CN disclosed
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