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Sugi Predict / Compounds / SCHEMBL30658239

SCHEMBL30658239

SCHEMBL30658239

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)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](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)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)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.69
▸ NPY2R P49146 1/20 0.69
▸ NPY4R P50391 1/20 0.69
▸ NPY5R Q15761 1/20 0.69
▸ GLP1R P43220 16/20 0.68
▸ C5AR1 P21730 1/20 0.68
▸ GCGR P47871 4/20 0.65
▸ GIPR P48546 1/20 0.65
▸ CXCR4 P61073 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
SCHEMBL30598171 0.94 GLP1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182679 0.93 GLP1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30429333 0.93 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30598183 0.93 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30598153 0.93 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30598194 0.93 NPY1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658328 0.93 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31402803 0.92 GLP1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30598150 0.92 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30403572 0.92 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R

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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