SCHEMBL30973965

SCHEMBL30973965

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ REN P00797 2/20 0.45
▸ F2R P25116 2/20 0.43
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL23625401 0.94 ACE (0.50) ACEOPRM1RENF2ROPRK1
SCHEMBL4388468 0.94 ACE (0.50) ACEOPRM1RENF2ROPRK1
SCHEMBL6660498 0.94 ACE (0.47) ACEOPRM1REN
SCHEMBL30040838 0.89 ACE (0.49) ACEOPRM1RENOPRK1
SCHEMBL30434892 0.89 ACE (0.52) ACEOPRM1RENOPRK1
SCHEMBL34464908 0.88 ACE (0.55) ACEOPRK1
SCHEMBL30395076 0.88 ACE (0.49) ACEOPRM1RENOPRK1
SCHEMBL29501732 0.88 ACE (0.52) ACEOPRM1REN
SCHEMBL7760126 0.86 ACE (0.53) ACERENOPRK1
SCHEMBL29873745 0.86 ACE (0.52) ACEREN

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 claimed
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