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SCHEMBL30688078

SCHEMBL30688078

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](NC(=O)CN)[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)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 10/20 0.53
▸ NTSR2 O95665 6/20 0.53
▸ OXTR P30559 1/20 0.52
▸ SORT1 Q99523 5/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ NPY1R P25929 2/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ CALCR P30988 1/20 0.48
▸ AGTR1 P30556 2/20 0.48
▸ AGTR2 P50052 2/20 0.48

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 0.98 NTSR1 (0.51) NTSR1NTSR2OXTRSORT1SLC6A2
SCHEMBL30688084 0.96 OXTR (0.51) NTSR1NTSR2OXTRSORT1SLC6A2
SCHEMBL29706198 0.95 MAPK8 (0.53) NTSR1NTSR2OXTRSORT1SLC6A2
SCHEMBL29706192 0.94 MAPK8 (0.53) NTSR1NTSR2OXTRSORT1SLC6A2
SCHEMBL30688072 0.92 ANPEP (0.56) NTSR1NTSR2SORT1SLC6A2NPY1R
SCHEMBL30688082 0.87 EPHA2 (0.59) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30688077 0.86 MAPK8 (0.59) NTSR1NTSR2SLC6A2NPY1RANPEP
SCHEMBL30431763 0.85 CALCR (0.59) NTSR1NTSR2OXTRSORT1NPY1R
SCHEMBL30688081 0.85 NTSR2 (0.60) NTSR1NTSR2SORT1SLC6A2ANPEP
SCHEMBL30512601 0.84 NTSR1 (0.58) NTSR1NTSR2SORT1NPY1RAGTR1

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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