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Sugi Predict / Compounds / SCHEMBL30688072

SCHEMBL30688072

SCHEMBL30688072

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.56
▸ LNPEP Q9UIQ6 1/20 0.56
▸ SLC6A2 P23975 1/20 0.53
▸ NTSR2 O95665 13/20 0.52
▸ NTSR1 P30989 13/20 0.52
▸ SORT1 Q99523 11/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ AGTR2 P50052 4/20 0.50
▸ AGTR1 P30556 3/20 0.50

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
SCHEMBL30688071 0.94 NTSR1 (0.51) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL30688078 0.92 NTSR1 (0.53) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL30688084 0.89 OXTR (0.51) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL29706192 0.89 MAPK8 (0.53) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL29706198 0.87 MAPK8 (0.53) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL29706182 0.86 SLC6A2 (0.53) SLC6A2NTSR2NTSR1SORT1AGTR2
SCHEMBL30688081 0.86 NTSR2 (0.60) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL29706227 0.86 SLC6A2 (0.64) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL30688069 0.85 AGTR2 (0.58) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL29590802 0.82 SLC6A2 (0.63) ANPEPLNPEPSLC6A2NTSR2NTSR1

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-118946593-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2024-11-12 — — CN disclosed
CN-117186237-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2023-12-08 — — CN disclosed
WO-2023231969-A1 INSULIN HYBRID PEPTIDE COMPRISING CHYMOTRYPSIN INHIBITORY PEPTIDE, AND USE THEREOF 中国医学科学院药物研究所 2023-12-07 — — WO disclosed
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