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SCHEMBL30658268

SCHEMBL30658268

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.69
▸ GCGR P47871 9/20 0.65
▸ GIPR P48546 6/20 0.65
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ KEAP1 Q14145 1/20 0.64
▸ CALCA P06881 2/20 0.64
▸ PTH1R Q03431 1/20 0.60

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
SCHEMBL29429584 0.91 NPY1R (0.73) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30045080 0.91 GLP1R (0.79) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30495604 0.91 GLP1R (0.71) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30658398 0.90 NPY1R (0.70) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30473776 0.90 GLP1R (0.75) GLP1RGCGRGIPR
SCHEMBL30473787 0.90 GLP1R (0.75) GLP1RGCGRGIPR
SCHEMBL30029549 0.90 GLP1R (0.76) GLP1RGCGRGIPR
SCHEMBL30213352 0.90 GLP1R (0.73) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30403451 0.90 GLP1R (0.73) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29391164 0.89 GLP1R (0.65) GLP1RNPY1RNPY2RNPY4RNPY5R

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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