SCHEMBL30006939

SCHEMBL30006939

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.70
▸ GLP1R P43220 5/20 0.64
▸ C5AR1 P21730 1/20 0.63
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ NPY5R Q15761 1/20 0.63
▸ MC4R P32245 1/20 0.63
▸ MC5R P33032 1/20 0.63
▸ MC3R P41968 1/20 0.63
▸ MC1R Q01726 1/20 0.63
▸ PTH1R Q03431 6/20 0.63
▸ CXCR4 P61073 3/20 0.62

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
SCHEMBL29545955 0.99 KEAP1 (0.69) KEAP1GLP1RC5AR1NPY1RNPY2R
SCHEMBL30775451 0.96 MC4R (0.67) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30887976 0.95 KEAP1 (0.69) KEAP1GLP1RMC4RMC5RMC3R
SCHEMBL30775448 0.94 IL23R (0.68) KEAP1GLP1RMC4RMC5RMC3R
SCHEMBL30495698 0.92 GLP1R (0.66) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30432613 0.92 NPY1R (0.69) KEAP1GLP1RC5AR1NPY1RNPY2R
SCHEMBL30932069 0.91 GLP1R (0.74) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658214 0.91 NPY2R (0.72) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30432809 0.91 GLP1R (0.68) KEAP1GLP1RC5AR1NPY1RNPY2R
SCHEMBL31694492 0.91 KEAP1 (0.70) KEAP1GLP1RNPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118236470-A Application of MOTS-c peptide and derivatives thereof in preparation of bronchial asthma treatment drugs 无锡市第二人民医院 2024-06-25 — — CN disclosed
CN-117919374-A Application of MOTS-c polypeptide in preparation of medicines for preventing lung ischemia reperfusion vascular endothelial cell injury 无锡市人民医院 2024-04-26 — — CN disclosed
CN-117085110-A Application of MOTS-c polypeptide in preparation of medicines for preventing and/or treating bronchopulmonary dysplasia 江南大学 2023-11-21 — — CN disclosed
CN-117064999-A Application of MOTS-c peptide, derivatives and chimeric thereof in preparation of anti-fatigue composition 军事科学院军事医学研究院环境医学与作业医学研究所 2023-11-17 — — CN disclosed
CN-116474073-A Application of MOTS-c peptide and derivatives thereof in preparation of intrauterine growth restriction treatment drugs 江南大学 2023-07-25 — — CN disclosed
CN-115444926-A Application of MOTS-c peptide and derivative thereof in preparation of medicine for treating radioactive lung injury 江南大学 2022-12-09 — — CN disclosed
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