SCHEMBL30973964

SCHEMBL30973964

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.54
▸ OPRM1 P35372 9/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ ERAP2 Q6P179 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48

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
SCHEMBL31243949 0.92 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL31253370 0.91 OPRD1 (0.55) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL30974399 0.91 OPRD1 (0.54) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL31243945 0.90 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL30578955 0.90 LNPEP (0.58) OPRD1OPRK1ERAP2LNPEPNPY1R
SCHEMBL31243914 0.88 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL29472190 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL31236825 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29912182 0.88 LNPEP (0.52) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29619337 0.88 LNPEP (0.53) OPRD1OPRM1OPRK1ERAP2LNPEP

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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