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Sugi Predict / Compounds / SCHEMBL30658295

SCHEMBL30658295

SCHEMBL30658295

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 10/20 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 0.68
▸ GCGR P47871 3/20 0.66
▸ CXCR4 P61073 3/20 0.65
▸ CCKBR P32239 4/20 0.64
▸ NMBR P28336 1/20 0.63
▸ GRPR P30550 1/20 0.63

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
SCHEMBL30437189 0.94 CALCR (0.74) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31027131 0.92 CALCR (0.76) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31217658 0.92 CALCR (0.75) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29509179 0.92 CALCR (0.74) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658237 0.92 CALCR (0.76) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30771981 0.92 CALCR (0.77) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182507 0.92 NPY1R (0.72) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30159330 0.92 CALCR (0.73) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30932077 0.91 CALCR (0.76) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30607279 0.91 NPY1R (0.68) 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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