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Sugi Predict / Compounds / SCHEMBL30658328

SCHEMBL30658328

SCHEMBL30658328

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

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.74
▸ NPY4R P50391 8/20 0.74
▸ NPY5R Q15761 8/20 0.74
▸ NPY1R P25929 6/20 0.74
▸ GLP1R P43220 8/20 0.69
▸ C5AR1 P21730 1/20 0.68
▸ CCKBR P32239 2/20 0.67
▸ GCGR P47871 3/20 0.65
▸ KEAP1 Q14145 1/20 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
SCHEMBL31000945 0.94 C5AR1 (0.73) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30658235 0.93 NPY2R (0.73) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30658239 0.93 NPY1R (0.69) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31402805 0.92 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31000951 0.92 C5AR1 (0.71) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29429583 0.92 NPY1R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30403572 0.92 GLP1R (0.73) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29429581 0.92 NPY1R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30658340 0.92 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182646 0.92 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R

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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