SCHEMBL30974539

SCHEMBL30974539

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.47
▸ BACE2 Q9Y5Z0 3/20 0.47
▸ NTSR2 O95665 2/20 0.46
▸ NTSR1 P30989 2/20 0.46
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ C5AR1 P21730 2/20 0.45
▸ GLP1R P43220 3/20 0.44
▸ SCTR P47872 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ IL23R Q5VWK5 2/20 0.42

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
SCHEMBL30974127 0.96 GLP1R (0.44) BACE1BACE2NTSR2NTSR1NPY1R
SCHEMBL30974468 0.92 NPY4R (0.53) NPY1RNPY2RNPY4RC5AR1GLP1R
SCHEMBL30799141 0.90 BACE1 (0.53) BACE1BACE2NTSR2NTSR1NPY1R
SCHEMBL30974314 0.89 BACE1 (0.48) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL29381521 0.89 BACE1 (0.40) BACE1BACE2GLP1RSCTR
SCHEMBL30974298 0.89 FOLH1 (0.42) BACE1BACE2GLP1RSCTR
SCHEMBL29519822 0.88 GLP1R (0.52) NPY1RNPY2RNPY4RGLP1RSCTR
SCHEMBL29732685 0.88 SLC15A2 (0.44) NTSR2NTSR1NPY1RNPY2RNPY4R
SCHEMBL29557080 0.88 BACE1 (0.40) BACE1BACE2C5AR1GLP1RSCTR
SCHEMBL29557273 0.87 GLP1R (0.41) BACE1BACE2C5AR1GLP1RSCTR

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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