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Sugi Predict / Compounds / SCHEMBL30658355

SCHEMBL30658355

SCHEMBL30658355

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.67
▸ CCKBR P32239 4/20 0.67
▸ CALCR P30988 4/20 0.66
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ GCGR P47871 1/20 0.62
▸ GIPR P48546 1/20 0.62
▸ HCRTR1 O43613 1/20 0.61
▸ HCRTR2 O43614 1/20 0.61
▸ KEAP1 Q14145 1/20 0.61
▸ NMBR P28336 1/20 0.61
▸ GRPR P30550 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
SCHEMBL30495677 0.92 NPY1R (0.72) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL31182593 0.92 F2 (0.66) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30800083 0.91 NPY1R (0.70) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30800084 0.91 NPY1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30800086 0.91 NPY1R (0.70) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30800087 0.91 NPY1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30800085 0.91 NPY1R (0.71) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL30607395 0.91 GLP1R (0.60) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588160 0.91 CALCR (0.66) GLP1RCCKBRCALCRNPY1RNPY2R
SCHEMBL29588702 0.91 CALCR (0.64) GLP1RCCKBRCALCRNPY1RNPY2R

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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