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Sugi Predict / Compounds / SCHEMBL30658352

SCHEMBL30658352

SCHEMBL30658352

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.71
▸ KEAP1 Q14145 2/20 0.70
▸ GLP1R P43220 6/20 0.69
▸ NPY1R P25929 1/20 0.68
▸ NPY2R P49146 1/20 0.68
▸ NPY4R P50391 1/20 0.68
▸ NPY5R Q15761 1/20 0.68
▸ CALCR P30988 3/20 0.66
▸ PTH1R Q03431 4/20 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
SCHEMBL30658320 0.95 NPY1R (0.68) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL30658403 0.95 CXCR4 (0.71) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL29949636 0.93 NPY1R (0.71) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL31182694 0.93 CXCR4 (0.71) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL31182766 0.93 PTH1R (0.73) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL30932069 0.93 GLP1R (0.74) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658254 0.93 KEAP1 (0.72) CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL29436020 0.93 GLP1R (0.68) CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658240 0.92 NPY2R (0.74) CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658243 0.92 GLP1R (0.69) KEAP1GLP1RNPY1RNPY2RNPY4R

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