SCHEMBL30974083

SCHEMBL30974083

N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ BDKRB2 P30411 1/20 0.42
▸ F2 P00734 4/20 0.40
▸ C5AR1 P21730 2/20 0.39
▸ APLNR P35414 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL30974084 0.94 F2 (0.43) OPRM1OPRD1BDKRB2F2C5AR1
SCHEMBL31031466 0.89 C5AR1 (0.46) OPRM1OPRD1BDKRB2F2C5AR1
SCHEMBL29630369 0.88 TRHR (0.41) OPRM1OPRD1
SCHEMBL29630457 0.88 MC4R (0.42) F2CTSLCTSHCTSSCTSK
SCHEMBL30254274 0.86 OPRM1 (0.50) OPRM1OPRD1C5AR1
SCHEMBL29498244 0.84 DPP4 (0.40) OPRM1F2
SCHEMBL31328325 0.84 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL30254020 0.84 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL29630670 0.83 TRHR (0.42) —
SCHEMBL31201041 0.82 CTSL (0.41) OPRM1OPRD1F2CTSLCTSH

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
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