Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658312

SCHEMBL30658312

SCHEMBL30658312

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.74
▸ GCGR P47871 8/20 0.74
▸ GIPR P48546 5/20 0.70
▸ KEAP1 Q14145 1/20 0.68
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66
▸ CXCR4 P61073 1/20 0.66
▸ CALCR P30988 3/20 0.66
▸ CTSL P07711 1/20 0.65
▸ CTSH P09668 1/20 0.65
▸ CTSS P25774 1/20 0.65
▸ CTSK P43235 1/20 0.65
▸ C5AR1 P21730 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
SCHEMBL30658363 0.99 GLP1R (0.74) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL29508830 0.93 GLP1R (0.74) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30658282 0.93 KEAP1 (0.73) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30473790 0.92 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30473796 0.92 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30473804 0.92 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30473766 0.92 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL30473786 0.92 GLP1R (0.79) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL31457380 0.92 CXCR4 (0.70) GLP1RGCGRGIPRKEAP1NPY1R
SCHEMBL29771728 0.91 GLP1R (0.71) GLP1RGCGRGIPRKEAP1

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
Send feedback