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SCHEMBL30688084

SCHEMBL30688084

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)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 3/20 0.51
▸ NPY1R P25929 2/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ NTSR1 P30989 7/20 0.49
▸ NTSR2 O95665 5/20 0.49
▸ SORT1 Q99523 4/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ CALCR P30988 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ ANPEP P15144 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46

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
SCHEMBL30688078 0.96 NTSR1 (0.53) OXTRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30688071 0.95 NTSR1 (0.51) OXTRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29706198 0.92 MAPK8 (0.53) OXTRNTSR1NTSR2SORT1MAPK8
SCHEMBL29706192 0.91 MAPK8 (0.53) OXTRNTSR1NTSR2SORT1MAPK8
SCHEMBL30688072 0.89 ANPEP (0.56) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30688083 0.88 MAPK8 (0.57) NTSR1NTSR2MAPK8MAPK9MAPK10
SCHEMBL30688077 0.84 MAPK8 (0.59) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30688082 0.83 EPHA2 (0.59) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30688081 0.83 NTSR2 (0.60) NTSR1NTSR2SORT1SLC6A2ANPEP
SCHEMBL30431763 0.83 CALCR (0.59) OXTRNPY1RNPY2RNPY4RNPY5R

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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