SCHEMBL31031547

SCHEMBL31031547

CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.56
▸ ACE2 Q9BYF1 5/20 0.56
▸ SLC6A2 P23975 1/20 0.52
▸ CALCRL Q16602 1/20 0.51
▸ REN P00797 1/20 0.49
▸ CMA1 P23946 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
SCHEMBL30661455 0.93 SLC6A2 (0.54) ACEACE2SLC6A2CALCRL
SCHEMBL29666878 0.92 ACE (0.58) ACEACE2
SCHEMBL31514346 0.92 CALCRL (0.52) ACEACE2SLC6A2CALCRLREN
SCHEMBL29666769 0.91 ACE (0.58) ACEACE2
SCHEMBL29412259 0.88 CALCRL (0.60) ACEACE2SLC6A2CALCRLREN
SCHEMBL25122503 0.87 CALCRL (0.60) ACEACE2SLC6A2CALCRLCMA1
SCHEMBL22906386 0.87 CALCRL (0.60) ACEACE2SLC6A2CALCRLCMA1
SCHEMBL30445527 0.87 CALCRL (0.54) ACEACE2SLC6A2CALCRL
SCHEMBL31596830 0.86 SLC6A2 (0.65) ACEACE2SLC6A2CALCRL
SCHEMBL28255253 0.86 ACE (0.63) ACEACE2

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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