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SCHEMBL31031602

SCHEMBL31031602

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.59
▸ NMUR2 Q9GZQ4 4/20 0.56
▸ NMUR1 Q9HB89 4/20 0.56
▸ MC4R P32245 1/20 0.56
▸ CXCR4 P61073 3/20 0.55
▸ APLNR P35414 1/20 0.55
▸ RAMP3 O60896 5/20 0.54
▸ CALCR P30988 5/20 0.54

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
SCHEMBL31031589 0.93 F2 (0.61) F2NMUR2NMUR1MC4RCXCR4
SCHEMBL29968139 0.90 RAMP3 (0.59) F2CXCR4RAMP3CALCR
SCHEMBL31186830 0.89 F2 (0.57) F2NMUR2NMUR1MC4RCXCR4
SCHEMBL30898604 0.88 F2 (0.58) F2NMUR2NMUR1MC4RAPLNR
SCHEMBL31118841 0.88 RAMP3 (0.61) F2CXCR4RAMP3CALCR
SCHEMBL31118810 0.88 RAMP3 (0.61) F2CXCR4RAMP3CALCR
SCHEMBL30495660 0.87 CALCR (0.58) F2MC4RCXCR4CALCR
SCHEMBL30431287 0.87 MC4R (0.57) F2MC4RCXCR4APLNR
SCHEMBL30176412 0.87 MC4R (0.63) F2NMUR2NMUR1MC4RCXCR4
SCHEMBL30432430 0.86 NPY2R (0.64) CXCR4RAMP3CALCR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4390398-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIV GDANSKI (PL) 2025-07-23 — — EP claimed
EP-4390398-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP claimed
EP-4390398-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIV GDANSKI (PL) 2025-07-23 — — EP disclosed
WO-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
EP-4390398-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP disclosed
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