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Sugi Predict / Compounds / SCHEMBL30658404

SCHEMBL30658404

SCHEMBL30658404

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ CXCR4 P61073 2/20 0.61
▸ GLP1R P43220 12/20 0.60
▸ KEAP1 Q14145 2/20 0.60
▸ GCGR P47871 8/20 0.60
▸ GIPR P48546 5/20 0.60
▸ CALCR P30988 1/20 0.57

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
SCHEMBL30658331 0.98 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182624 0.88 CXCR4 (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658243 0.88 GLP1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658352 0.88 CXCR4 (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658403 0.87 CXCR4 (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658320 0.87 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182482 0.87 CXCR4 (0.61) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30495671 0.86 GLP1R (0.64) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658253 0.86 CALCR (0.60) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30578730 0.86 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4

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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