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SCHEMBL31031600

SCHEMBL31031600

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)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ NTSR2 O95665 5/20 0.44
▸ NTSR1 P30989 5/20 0.44
▸ ACE P12821 2/20 0.43
▸ GRB2 P62993 1/20 0.43
▸ NRP1 O14786 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ F2R P25116 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
SCHEMBL31031486 0.90 ACE (0.50) OPRM1NTSR2NTSR1ACE
SCHEMBL29801986 0.88 NTSR2 (0.49) F2OPRM1NTSR2NTSR1ACE
SCHEMBL29630410 0.88 GRB2 (0.44) F2OPRM1GRB2NRP1
SCHEMBL30658587 0.85 F2 (0.46) F2OPRM1NTSR2NTSR1ACE
SCHEMBL30844274 0.85 F2 (0.51) F2OPRM1NTSR2NTSR1ACE
SCHEMBL29752529 0.84 NTSR2 (0.51) F2OPRM1NTSR2NTSR1NRP1
SCHEMBL29801966 0.84 ACE (0.51) NTSR2NTSR1ACE
SCHEMBL30798755 0.84 OPRM1 (0.50) F2OPRM1NTSR2NTSR1ACE
SCHEMBL29413028 0.84 F2 (0.56) F2OPRM1NTSR2NTSR1ACE
SCHEMBL413759 0.84 NTSR2 (0.52) F2OPRM1NTSR2NTSR1GRB2

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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