Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658385

SCHEMBL30658385

SCHEMBL30658385

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.69
▸ NPY2R P49146 1/20 0.69
▸ NPY4R P50391 1/20 0.69
▸ NPY5R Q15761 1/20 0.69
▸ GLP1R P43220 13/20 0.66
▸ ECE1 P42892 1/20 0.66
▸ MUS81 Q96NY9 1/20 0.66
▸ EP300 Q09472 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ KEAP1 Q14145 1/20 0.63
▸ RAMP3 O60896 1/20 0.63
▸ CALCR P30988 1/20 0.63
▸ IL23R Q5VWK5 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
SCHEMBL31182503 0.92 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30256968 0.92 NPY1R (0.66) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658244 0.92 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182478 0.92 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30824296 0.92 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30843895 0.92 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30358170 0.91 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30666364 0.91 NPY2R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182921 0.91 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658209 0.91 NPY1R (0.73) 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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