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Sugi Predict / Compounds / SCHEMBL29466792

SCHEMBL29466792

SCHEMBL29466792

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 9/20 0.49
▸ NPY2R P49146 9/20 0.48
▸ NPY4R P50391 9/20 0.48
▸ NPY5R Q15761 9/20 0.48
▸ NTSR1 P30989 4/20 0.45
▸ NTSR2 O95665 3/20 0.45
▸ SORT1 Q99523 2/20 0.45

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
SCHEMBL5710757 0.90 NPY1R (0.56) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL5710761 0.90 NPY1R (0.56) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30118985 0.89 GRB2 (0.48) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30512794 0.89 NTSR1 (0.49) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30435238 0.89 NPY2R (0.45) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29906299 0.84 CALCRL (0.47) NPY1RNPY2RNPY4RNPY5RNTSR1
Acetic Acid SCHEMBL30409055 0.84 NPY2R (0.53) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30512575 0.84 NPY2R (0.49) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL30338334 0.84 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29823022 0.84 NTSR1 (0.51) NTSR1NTSR2SORT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN claimed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN claimed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN disclosed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN disclosed
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