SCHEMBL31031486

SCHEMBL31031486

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50
▸ OPRM1 P35372 1/20 0.46
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ OPRK1 P41145 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
SCHEMBL29801966 0.94 ACE (0.51) ACENTSR2NTSR1OPRK1
SCHEMBL29801988 0.91 ACE (0.51) ACENTSR2NTSR1OPRK1
SCHEMBL29802301 0.90 ACE (0.49) ACENTSR2NTSR1OPRK1
SCHEMBL31031600 0.90 F2 (0.47) ACEOPRM1NTSR2NTSR1
SCHEMBL34464908 0.89 ACE (0.55) ACENTSR2NTSR1OPRK1
SCHEMBL29802040 0.89 ACE (0.52) ACEOPRM1NTSR2NTSR1OPRK1
SCHEMBL29801916 0.89 ACE (0.53) ACEOPRM1NTSR2NTSR1
SCHEMBL29801964 0.88 ACE (0.48) ACE
SCHEMBL29802129 0.88 ACE (0.52) ACENTSR2NTSR1OPRK1
SCHEMBL29801911 0.88 ACE (0.52) ACE

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 claimed
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