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SCHEMBL31031478

SCHEMBL31031478

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.44
▸ VIPR1 P32241 1/20 0.44
▸ TFPI P10646 1/20 0.44
▸ OPRL1 P41146 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ KISS1R Q969F8 3/20 0.42

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
SCHEMBL30262049 0.91 TFPI (0.50) BACE1VIPR1TFPI
SCHEMBL30258039 0.89 SIRT2 (0.45) BACE1VIPR1OPRL1SIRT2SIRT5
SCHEMBL31410824 0.89 KEAP1 (0.44) BACE1TFPIOPRD1
SCHEMBL29883866 0.88 SIRT2 (0.44) OPRL1SIRT2SIRT5KISS1R
SCHEMBL31593252 0.86 TFPI (0.46) BACE1VIPR1TFPIOPRL1
SCHEMBL29705482 0.85 EGFR (0.47) BACE1VIPR1TFPIOPRL1
SCHEMBL30432032 0.85 OPRL1 (0.48) VIPR1TFPIOPRL1
SCHEMBL29867622 0.85 TFPI (0.50) BACE1VIPR1TFPIOPRL1
SCHEMBL30262036 0.84 VIPR1 (0.52) BACE1VIPR1TFPIKISS1R
SCHEMBL30543724 0.84 SIRT2 (0.44) BACE1VIPR1OPRL1SIRT2SIRT5

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 3 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
EP-4390398-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIV GDANSKI (PL) 2025-07-23 — — EP disclosed
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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