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SCHEMBL30974276

SCHEMBL30974276

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.61
▸ CALCR P30988 4/20 0.60
▸ OPRD1 P41143 4/20 0.57
▸ OPRM1 P35372 3/20 0.57
▸ CXCR4 P61073 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ C5AR1 P21730 1/20 0.54
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 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
SCHEMBL16684358 0.91 F2 (0.65) F2CALCROPRD1OPRM1APLNR
SCHEMBL31664366 0.91 CALCR (0.66) F2CALCRCRHR1CRHR2C5AR1
SCHEMBL31664360 0.91 CALCR (0.66) F2CALCRCRHR1CRHR2C5AR1
SCHEMBL31683309 0.90 CALCR (0.65) F2CALCRCRHR1CRHR2C5AR1
SCHEMBL30431687 0.89 F2 (0.64) F2CALCROPRD1OPRM1CRHR1
SCHEMBL30266728 0.89 F2 (0.60) F2CALCROPRD1OPRM1APLNR
SCHEMBL30804656 0.89 F2 (0.67) F2CALCRCXCR4CRHR1CRHR2
SCHEMBL30176412 0.88 MC4R (0.63) F2CALCRCXCR4APLNR
SCHEMBL30974069 0.88 OPRD1 (0.51) CALCROPRD1
SCHEMBL31182455 0.88 OPRD1 (0.57) CALCROPRD1OPRM1CXCR4

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-4390399-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIV GDANSKI (PL) 2025-07-16 — — EP claimed
EP-4390399-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP claimed
EP-4390399-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIV GDANSKI (PL) 2025-07-16 — — EP disclosed
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
EP-4390399-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP disclosed
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