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Sugi Predict / Compounds / SCHEMBL30658400

SCHEMBL30658400

SCHEMBL30658400

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.63
▸ NPY4R P50391 8/20 0.63
▸ NPY5R Q15761 8/20 0.63
▸ NPY1R P25929 7/20 0.63
▸ CALCR P30988 3/20 0.58
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ GLP1R P43220 3/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL30658308 0.93 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29838176 0.89 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182533 0.88 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30437122 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31146614 0.87 NPY2R (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29360287 0.87 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578732 0.86 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30320527 0.86 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607277 0.86 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30296801 0.86 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR

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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