SCHEMBL30974006

SCHEMBL30974006

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.65
BACE2 Q9Y5Z0 5/20 0.65
OPRD1 P41143 1/20 0.63
CTSD P07339 1/20 0.56
CASP1 P29466 1/20 0.55

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
SCHEMBL30974267 0.90 BACE1 (0.62) BACE1BACE2OPRD1
SCHEMBL8837262 0.90 BACE1 (0.61) BACE1BACE2OPRD1CTSD
SCHEMBL8837270 0.90 BACE1 (0.61) BACE1BACE2OPRD1CTSD
SCHEMBL217352 0.89 FOLH1 (0.60) BACE1BACE2OPRD1
SCHEMBL29395643 0.89 FOLH1 (0.60) BACE1BACE2
SCHEMBL31257068 0.88 OPRD1 (0.64) BACE1BACE2OPRD1CASP1
SCHEMBL73897 0.88 NPY4R (0.60) BACE1BACE2OPRD1CTSD
SCHEMBL29714708 0.88 BACE1 (0.63) BACE1BACE2OPRD1CTSD
SCHEMBL29408005 0.87 OPRD1 (0.68) BACE1BACE2OPRD1CASP1
SCHEMBL30445840 0.87 OPRD1 (0.54) BACE1BACE2OPRD1CASP1

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