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SCHEMBL29429581

SCHEMBL29429581

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CCCCN)[C@H](C)O)[C@H](C)O)C(C)C)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.74
▸ NPY2R P49146 1/20 0.74
▸ NPY4R P50391 1/20 0.74
▸ NPY5R Q15761 1/20 0.74
▸ C5AR1 P21730 1/20 0.71
▸ GLP1R P43220 13/20 0.71
▸ CCKBR P32239 2/20 0.70
▸ GCGR P47871 3/20 0.69
▸ KEAP1 Q14145 1/20 0.67
▸ CALCR P30988 2/20 0.66

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
SCHEMBL29429583 1.00 NPY1R (0.74) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30403572 0.96 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL29991271 0.95 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30801072 0.95 GLP1R (0.71) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30658209 0.94 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30432159 0.94 C5AR1 (0.73) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL30495703 0.94 GLP1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30932068 0.94 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29638067 0.94 GLP1R (0.74) NPY1RNPY2RNPY4RNPY5RC5AR1
SCHEMBL29638062 0.94 GLP1R (0.74) NPY1RNPY2RNPY4RNPY5RC5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066049-A1 PEPTIDES USEFUL IN PRESERVATION AND/OR RESTORATION OF FUNCTIONAL PANCREATIC ISLETS AND IN TREATING DIABETES NAT INST BIOTECHNOLOGY NEGEV LTD (IL) 2023-03-02 — — US disclosed
CN-108350046-B Analogs of VDAC 1-derived peptides 在本-古里安大学的B．G．内盖夫科技与应用有限公司 2022-04-01 — — CN disclosed
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