SCHEMBL31031625

SCHEMBL31031625

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.46
▸ PTPN1 P18031 2/20 0.44
▸ GHSR Q92847 6/20 0.44
▸ OPRK1 P41145 1/20 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
SCHEMBL29960772 0.93 OPRD1 (0.45) BACE1GHSROPRK1
SCHEMBL29653453 0.92 SLC15A2 (0.44) BACE1PTPN1GHSR
SCHEMBL31181290 0.91 GHSR (0.47) GHSROPRK1
SCHEMBL31181265 0.90 GLP1R (0.42) GHSROPRK1
SCHEMBL30799391 0.90 BACE1 (0.54) BACE1PTPN1
SCHEMBL30668921 0.89 OPRK1 (0.48) BACE1OPRK1
SCHEMBL30799430 0.89 BACE1 (0.45) BACE1PTPN1OPRK1
SCHEMBL31281584 0.89 NPY4R (0.48) —
SCHEMBL18286725 0.88 BACE1 (0.46) BACE1PTPN1
SCHEMBL30799841 0.88 BACE1 (0.53) BACE1PTPN1OPRK1

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-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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