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Sugi Predict / Compounds / SCHEMBL30658315

SCHEMBL30658315

SCHEMBL30658315

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.68
▸ NPY2R P49146 1/20 0.68
▸ NPY4R P50391 1/20 0.68
▸ NPY5R Q15761 1/20 0.68
▸ GLP1R P43220 16/20 0.67
▸ GCGR P47871 3/20 0.65
▸ KEAP1 Q14145 1/20 0.64
▸ CCKBR P32239 1/20 0.63
▸ GIPR P48546 4/20 0.62

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
SCHEMBL30932069 0.92 GLP1R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31222182 0.92 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30213352 0.91 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30403451 0.91 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29598077 0.91 NPY2R (0.75) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658408 0.91 GLP1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31683347 0.91 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29429584 0.91 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658224 0.91 CXCR4 (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658214 0.91 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R

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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