SCHEMBL30973978

SCHEMBL30973978

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ MME P08473 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ LAP3 P28838 2/20 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
SCHEMBL1666827 0.95 MME (0.44) MMELTA4HLAP3
SCHEMBL1666829 0.95 MME (0.44) MMELTA4HLAP3
SCHEMBL29531330 0.95 MME (0.44) MMELTA4HLAP3
Water SCHEMBL29559377 0.94 MME (0.44) MMELTA4HLAP3
SCHEMBL30728878 0.93 MME (0.43) MMELTA4HLAP3
SCHEMBL30449517 0.93 MME (0.40) OPRM1OPRD1OPRK1MMELTA4H
SCHEMBL34470345 0.92 MME (0.42) OPRM1OPRD1OPRK1MMELTA4H
SCHEMBL29973895 0.92 PSMB1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL30799848 0.91 OPRM1 (0.54) OPRM1OPRD1OPRK1MMELTA4H
SCHEMBL29442611 0.91 MME (0.41) OPRM1OPRD1OPRK1MMELTA4H

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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