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Sugi Predict / Compounds / SCHEMBL30658377

SCHEMBL30658377

SCHEMBL30658377

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 13/20 0.73
▸ GCGR P47871 8/20 0.73
▸ NPY1R P25929 1/20 0.71
▸ NPY2R P49146 1/20 0.71
▸ NPY4R P50391 1/20 0.71
▸ NPY5R Q15761 1/20 0.71
▸ CALCR P30988 3/20 0.68
▸ GIPR P48546 5/20 0.68
▸ C5AR1 P21730 1/20 0.67

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
SCHEMBL30658417 0.95 NPY1R (0.72) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31105521 0.94 GLP1R (0.76) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31027142 0.94 GLP1R (0.75) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658282 0.93 KEAP1 (0.73) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31182829 0.93 GLP1R (0.73) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658237 0.93 CALCR (0.76) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31202689 0.93 CALCR (0.73) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31027131 0.93 CALCR (0.76) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29843716 0.92 CALCR (0.76) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29429583 0.92 NPY1R (0.74) GLP1RGCGRNPY1RNPY2RNPY4R

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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