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Sugi Predict / Compounds / SCHEMBL29620320

SCHEMBL29620320

SCHEMBL29620320

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.60
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56
▸ F2 P00734 4/20 0.56
▸ CCKBR P32239 2/20 0.53
▸ GLP1R P43220 2/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ NPY2R P49146 6/20 0.52
▸ NPY4R P50391 6/20 0.52
▸ NPY5R Q15761 6/20 0.52
▸ NPY1R P25929 4/20 0.52

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
SCHEMBL30413907 0.93 CALCR (0.55) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30906452 0.89 CALCR (0.67) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182490 0.87 CRHR1 (0.63) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29530736 0.87 C5AR1 (0.50) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30767685 0.87 CALCR (0.54) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30495614 0.87 CRHR1 (0.67) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30495819 0.86 NPY2R (0.59) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL29423354 0.85 F2 (0.53) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182860 0.85 CALCR (0.77) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31014074 0.85 CALCR (0.75) CALCRCRHR1CRHR2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437180-A Protein tyrosine phosphatase 1B inhibitory peptide and application thereof 青岛市市立医院 2022-05-06 — — CN claimed
CN-114437180-B Protein tyrosine phosphatase 1B inhibiting peptide and application thereof 青岛市市立医院 2023-05-19 — — CN disclosed
CN-114437180-A Protein tyrosine phosphatase 1B inhibitory peptide and application thereof 青岛市市立医院 2022-05-06 — — CN disclosed
CN-114437180-A Protein tyrosine phosphatase 1B inhibitory peptide and application thereof 青岛市市立医院 2022-05-06 — — CN disclosed
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