Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658279

SCHEMBL30658279

SCHEMBL30658279

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

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 10/20 0.73
▸ NPY4R P50391 8/20 0.73
▸ NPY5R Q15761 8/20 0.73
▸ NPY1R P25929 8/20 0.73
▸ CALCR P30988 3/20 0.66
▸ EP300 Q09472 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ CRHR1 P34998 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ GLP1R P43220 3/20 0.62
▸ TFPI P10646 1/20 0.61

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
SCHEMBL31105560 0.93 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578733 0.93 CALCR (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578729 0.93 CALCR (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182542 0.92 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578734 0.92 CALCR (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29779564 0.92 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30843963 0.92 CALCR (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182922 0.91 CALCR (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29360287 0.91 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658265 0.91 NPY2R (0.70) 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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