SCHEMBL30973956

SCHEMBL30973956

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.45
▸ GRPR P30550 1/20 0.41
▸ F2 P00734 4/20 0.40
▸ BACE1 P56817 7/20 0.40
▸ BACE2 Q9Y5Z0 2/20 0.40
▸ GLP1R P43220 1/20 0.40
▸ SCTR P47872 1/20 0.40
▸ CTSD P07339 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
SCHEMBL31757236 0.91 F2 (0.42) CTSBF2GLP1RSCTR
SCHEMBL31387887 0.90 GLP1R (0.43) GRPRF2GLP1RSCTR
SCHEMBL31454245 0.89 GLP1R (0.43) CTSBGRPRBACE1BACE2GLP1R
SCHEMBL31438279 0.88 F2 (0.43) CTSBGRPRF2GLP1RSCTR
SCHEMBL30974400 0.87 GLP1R (0.49) GRPRF2BACE1BACE2GLP1R
SCHEMBL30974246 0.87 BACE1 (0.47) GRPRF2BACE1BACE2GLP1R
SCHEMBL30974323 0.87 BACE1 (0.47) GRPRF2BACE1BACE2GLP1R
SCHEMBL30032557 0.86 CTSB (0.44) CTSBGRPRBACE1BACE2
SCHEMBL29592530 0.86 SLC15A2 (0.38) CTSBF2
SCHEMBL30974346 0.85 OPRM1 (0.41) CTSBF2

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-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
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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