SCHEMBL30974011

SCHEMBL30974011

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.49
▸ OPRM1 P35372 7/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ CCKAR P32238 2/20 0.44
▸ CCKBR P32239 2/20 0.44

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
SCHEMBL30974516 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL18286725 0.92 BACE1 (0.46) —
SCHEMBL30974282 0.91 OPRD1 (0.46) OPRD1OPRM1CCKARCCKBR
SCHEMBL30974069 0.90 OPRD1 (0.51) OPRD1CCKARCCKBR
SCHEMBL29649733 0.90 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30974499 0.90 GLP1R (0.49) OPRD1CCKARCCKBR
SCHEMBL30873784 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30799430 0.86 BACE1 (0.45) OPRD1OPRM1OPRK1
SCHEMBL30799841 0.86 BACE1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL30799481 0.86 BACE1 (0.51) OPRD1OPRM1OPRK1

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
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