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SCHEMBL30658282

SCHEMBL30658282

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.73
▸ GLP1R P43220 12/20 0.72
▸ GCGR P47871 8/20 0.72
▸ GIPR P48546 5/20 0.71
▸ CALCR P30988 3/20 0.69
▸ NPY1R P25929 1/20 0.69
▸ NPY2R P49146 1/20 0.69
▸ NPY4R P50391 1/20 0.69
▸ NPY5R Q15761 1/20 0.69

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
SCHEMBL29508830 0.95 GLP1R (0.74) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30658306 0.95 KEAP1 (0.72) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL31182724 0.95 KEAP1 (0.70) KEAP1GLP1RGCGRGIPR
SCHEMBL30473790 0.95 GLP1R (0.79) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30473786 0.95 GLP1R (0.79) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30473766 0.95 GLP1R (0.79) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30473796 0.95 GLP1R (0.79) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30473804 0.95 GLP1R (0.79) KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL29922531 0.95 GLP1R (0.76) KEAP1GLP1RGCGRGIPR
SCHEMBL29922501 0.95 GLP1R (0.76) KEAP1GLP1RGCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753627-B2 Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 — — US disclosed
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