SCHEMBL31031490

SCHEMBL31031490

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.43
▸ RAMP3 O60896 8/20 0.43
▸ CALCR P30988 8/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ F2 P00734 1/20 0.40
▸ NRP1 O14786 1/20 0.40
▸ NMUR2 Q9GZQ4 2/20 0.40
▸ NMUR1 Q9HB89 2/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ GRB2 P62993 1/20 0.39

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
SCHEMBL30272515 0.94 OPRM1 (0.44) EPHA2OPRM1F2NRP1GRB2
SCHEMBL30198664 0.92 DPP4 (0.45) EPHA2RAMP3CALCROPRM1F2
SCHEMBL31031449 0.90 EPHA2 (0.47) EPHA2RAMP3CALCROPRM1NRP1
SCHEMBL30716924 0.89 NRP1 (0.45) EPHA2RAMP3CALCRF2NRP1
SCHEMBL828689 0.89 EPHA2 (0.43) EPHA2RAMP3CALCROPRM1F2
SCHEMBL31332134 0.88 RAMP3 (0.53) RAMP3CALCRNMUR2NMUR1
SCHEMBL31487190 0.88 NRP1 (0.47) OPRM1F2NRP1GRB2
SCHEMBL29853254 0.88 NRP1 (0.47) OPRM1F2NRP1GRB2
SCHEMBL29669537 0.87 EPHA2 (0.49) EPHA2RAMP3CALCROPRM1NRP1
SCHEMBL9450491 0.87 OPRM1 (0.46) EPHA2OPRM1F2NRP1NMUR2

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 2 patents. 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
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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