SCHEMBL30974256

SCHEMBL30974256

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 2/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ ENPEP Q07075 3/20 0.48
▸ OPRM1 P35372 1/20 0.45
▸ ACE P12821 3/20 0.44
▸ MME P08473 2/20 0.44
▸ NPPA P01160 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ NAALAD2 Q9Y3Q0 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ BACE1 P56817 3/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL32665667 0.91 MME (0.51) ENPEPACEMMENAALAD2BACE1
SCHEMBL30973981 0.90 NPY4R (0.56) NPY4RNPY1RNPY2ROPRM1NAALAD2
SCHEMBL30433385 0.88 NPY4R (0.54) NPY4RNPY1RNPY2RENPEPACE
SCHEMBL30810206 0.88 NPY4R (0.52) NPY4RNPY1RNPY2ROPRM1ACE
SCHEMBL30038873 0.87 NPY4R (0.57) NPY4RNPY1RNPY2R
SCHEMBL29816861 0.86 NPY4R (0.59) NPY4RNPY1RNPY2R
SCHEMBL31279591 0.86 NPY4R (0.59) NPY4RNPY1RNPY2RENPEP
SCHEMBL31279919 0.86 NPY4R (0.59) NPY4RNPY1RNPY2RENPEP
SCHEMBL30974027 0.86 F2 (0.48) NPY4RNPY1RNPY2ROPRM1ACE
SCHEMBL30385107 0.86 GNPAT (0.52) OPRM1MMEBACE1

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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