SCHEMBL30974251

SCHEMBL30974251

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.53
▸ NTSR1 P30989 2/20 0.48
▸ CTSB P07858 3/20 0.48
▸ SLC6A2 P23975 1/20 0.45
▸ GRB2 P62993 1/20 0.43
▸ APLNR P35414 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ RAMP3 O60896 3/20 0.41
▸ CALCR P30988 3/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 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
SCHEMBL30973997 0.90 CAPN1 (0.55) CAPN1NTSR1CTSBSLC6A2GRB2
SCHEMBL29569659 0.88 CAPN1 (0.51) CAPN1NTSR1CTSBGRB2RAMP3
SCHEMBL30973955 0.87 SLC6A2 (0.60) NTSR1SLC6A2APLNR
SCHEMBL31433277 0.85 CAPN1 (0.42) CAPN1NTSR1SLC6A2GRB2APLNR
SCHEMBL31433187 0.84 MAPK8 (0.43) CAPN1NTSR1GRB2APLNRCTSD
SCHEMBL30420753 0.84 GRB2 (0.47) CAPN1NTSR1GRB2APLNRRAMP3
SCHEMBL31433348 0.83 CALCR (0.45) CAPN1NTSR1GRB2APLNRCALCR
SCHEMBL31276263 0.83 CAPN1 (0.51) CAPN1NTSR1APLNRCTSDBACE1
SCHEMBL31433333 0.83 CALCR (0.46) CAPN1NTSR1APLNRCALCR
SCHEMBL30059762 0.82 SLC6A2 (0.50) CAPN1NTSR1CTSBSLC6A2GRB2

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 disclosed
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