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SCHEMBL30658363

SCHEMBL30658363

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.74
▸ GCGR P47871 8/20 0.74
▸ GIPR P48546 5/20 0.70
▸ KEAP1 Q14145 1/20 0.67
▸ CXCR4 P61073 1/20 0.67
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66
▸ CALCR P30988 3/20 0.66
▸ CTSL P07711 1/20 0.65
▸ CTSH P09668 1/20 0.65
▸ CTSS P25774 1/20 0.65
▸ CTSK P43235 1/20 0.65

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
SCHEMBL30658312 0.99 GLP1R (0.74) GLP1RGCGRGIPRKEAP1CXCR4
SCHEMBL29508830 0.93 GLP1R (0.74) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30658306 0.93 KEAP1 (0.72) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL29638062 0.92 GLP1R (0.74) GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL29638067 0.92 GLP1R (0.74) GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL30658282 0.92 KEAP1 (0.73) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL31457380 0.92 CXCR4 (0.70) GLP1RGCGRGIPRKEAP1CXCR4
SCHEMBL29771728 0.91 GLP1R (0.71) GLP1RGCGRGIPRKEAP1
SCHEMBL30473790 0.91 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL31182680 0.91 GLP1R (0.74) GLP1RGCGRCXCR4NPY1RNPY2R

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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