SCHEMBL30413907

SCHEMBL30413907

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)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 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.55
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ F2 P00734 4/20 0.53
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ GLP1R P43220 3/20 0.51
▸ CCKBR P32239 2/20 0.51
▸ NPY2R P49146 7/20 0.50
▸ NPY4R P50391 7/20 0.50
▸ NPY5R Q15761 7/20 0.50
▸ NPY1R P25929 5/20 0.50
▸ GCGR P47871 1/20 0.49
▸ GIPR P48546 1/20 0.49

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
SCHEMBL29620320 0.93 CALCR (0.60) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL38664551 0.87 CALCR (0.51) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29662249 0.87 CALCR (0.58) CALCRHCRTR1HCRTR2F2
SCHEMBL29530736 0.87 C5AR1 (0.50) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30906452 0.86 CALCR (0.67) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30275529 0.85 F2 (0.53) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29530620 0.84 CRHR1 (0.49) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29423354 0.84 F2 (0.53) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29530661 0.84 REN (0.49) CALCRHCRTR1HCRTR2F2
SCHEMBL29530837 0.84 CRHR1 (0.50) CALCRHCRTR1HCRTR2F2CRHR1

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

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