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SCHEMBL30658243

SCHEMBL30658243

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.69
▸ KEAP1 Q14145 2/20 0.67
▸ GCGR P47871 8/20 0.66
▸ GIPR P48546 5/20 0.66
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CALCR P30988 3/20 0.64

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
SCHEMBL30658320 0.93 NPY1R (0.68) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30658352 0.92 CXCR4 (0.71) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30658403 0.92 CXCR4 (0.71) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30471490 0.92 GLP1R (0.67) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29436020 0.92 GLP1R (0.68) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30658318 0.92 CXCR4 (0.68) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL31182514 0.91 KEAP1 (0.68) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30658335 0.91 KEAP1 (0.70) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30721569 0.91 CALCR (0.74) GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL30721566 0.91 CALCR (0.74) GLP1RKEAP1GCGRGIPRNPY1R

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