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Sugi Predict / Compounds / SCHEMBL30658283

SCHEMBL30658283

SCHEMBL30658283

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.74
▸ CRHR1 P34998 1/20 0.68
▸ CRHR2 Q13324 1/20 0.68
▸ NPY2R P49146 8/20 0.68
▸ NPY4R P50391 8/20 0.68
▸ NPY5R Q15761 8/20 0.68
▸ NPY1R P25929 6/20 0.68
▸ GLP1R P43220 4/20 0.67
▸ KEAP1 Q14145 1/20 0.65
▸ GCGR P47871 3/20 0.64

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
SCHEMBL30932066 0.95 CALCR (0.77) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658230 0.95 CALCR (0.79) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29767063 0.93 CALCR (0.79) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29416142 0.93 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30884870 0.93 CALCR (0.75) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29462637 0.93 CALCR (0.79) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30358206 0.92 CALCR (0.70) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30565137 0.92 CALCR (0.76) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29767110 0.92 CALCR (0.82) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182535 0.92 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R

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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