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SCHEMBL30973971

SCHEMBL30973971

C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.58
▸ OPRM1 P35372 7/20 0.55
▸ OPRD1 P41143 3/20 0.55
▸ RAMP3 O60896 4/20 0.54
▸ CALCR P30988 4/20 0.54
▸ NMUR2 Q9GZQ4 4/20 0.54
▸ NMUR1 Q9HB89 4/20 0.54
▸ APLNR P35414 1/20 0.52
▸ OPRK1 P41145 4/20 0.51

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
SCHEMBL30974034 0.95 EPHA2 (0.55) EPHA2OPRM1OPRD1RAMP3CALCR
SCHEMBL30974475 0.92 EPHA2 (0.57) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31099137 0.91 OPRM1 (0.57) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31206300 0.91 EPHA2 (0.58) EPHA2OPRM1OPRD1RAMP3CALCR
SCHEMBL30974199 0.90 NMUR2 (0.57) EPHA2OPRM1OPRD1RAMP3CALCR
SCHEMBL30973949 0.89 OPRM1 (0.59) OPRM1OPRD1OPRK1
SCHEMBL29406800 0.88 EPHA2 (0.59) EPHA2OPRM1NMUR2NMUR1OPRK1
SCHEMBL30974354 0.88 OPRM1 (0.58) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29554996 0.88 NMUR2 (0.65) EPHA2OPRM1OPRD1RAMP3CALCR
SCHEMBL30974592 0.87 F2 (0.58) EPHA2OPRM1OPRD1OPRK1

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 2 patents. 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
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 disclosed