SCHEMBL30974007

SCHEMBL30974007

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.52
▸ BACE1 P56817 10/20 0.52
▸ BACE2 Q9Y5Z0 4/20 0.52
▸ OPRD1 P41143 1/20 0.51
▸ CTSD P07339 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP9 P55211 1/20 0.48
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47

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
SCHEMBL30578955 0.93 LNPEP (0.58) ERAP2LNPEPOPRD1NPY1RNPY2R
SCHEMBL29611639 0.93 OPRD1 (0.57) ERAP2LNPEPBACE1BACE2OPRD1
SCHEMBL29611896 0.93 BACE1 (0.55) BACE1BACE2OPRD1CTSDNPY1R
SCHEMBL31025663 0.92 LNPEP (0.59) ERAP2LNPEPNPY1RNPY2RNPY4R
SCHEMBL31710294 0.92 LNPEP (0.59) ERAP2LNPEPNPY1RNPY2RNPY4R
SCHEMBL29611743 0.92 BACE1 (0.51) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL29912182 0.91 LNPEP (0.52) ERAP2LNPEPOPRD1NPY1RNPY2R
SCHEMBL9341200 0.91 BACE1 (0.52) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL9341178 0.91 BACE1 (0.52) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL31405782 0.91 BACE1 (0.55) BACE1BACE2OPRD1F2NTSR2

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 2 patents. 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 claimed
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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