SCHEMBL29980786

SCHEMBL29980786

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 18/20 0.56
▸ NTSR2 O95665 16/20 0.56
▸ SORT1 Q99523 15/20 0.52
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49

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
SCHEMBL30053439 0.87 NTSR1 (0.54) NTSR1NTSR2SORT1
SCHEMBL30843894 0.86 NTSR1 (0.47) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL31235878 0.86 NTSR1 (0.48) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL30874709 0.85 XIAP (0.53) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL31084988 0.85 NTSR2 (0.56) NTSR1NTSR2SORT1
SCHEMBL31462030 0.84 NTSR1 (0.49) NTSR1NTSR2SORT1
SCHEMBL30239990 0.83 XIAP (0.56) NTSR1NTSR2SORT1
SCHEMBL31461874 0.82 NPY2R (0.48) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL5710757 0.82 NPY1R (0.56) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL5710761 0.82 NPY1R (0.56) NTSR1NTSR2SORT1NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853849-B Maotai-flavor liquor Daqu antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 贵州茅台酒股份有限公司 2023-07-18 — — CN disclosed
CN-114853849-B Maotai-flavor liquor Daqu antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 贵州茅台酒股份有限公司 2023-07-18 — — CN disclosed
CN-114853849-A Maotai-flavor liquor Daqu antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 贵州茅台酒股份有限公司 2022-08-05 — — CN disclosed
CN-114853849-A Maotai-flavor liquor Daqu antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 贵州茅台酒股份有限公司 2022-08-05 — — CN disclosed
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