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Sugi Predict / Compounds / SCHEMBL31031539

SCHEMBL31031539

SCHEMBL31031539

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.63
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ NPY2R P49146 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ TFPI P10646 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
SCHEMBL31031489 0.96 CALCR (0.59) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31031545 0.92 CALCR (0.58) CALCRCRHR1CRHR2KEAP1OPRM1
SCHEMBL30432528 0.91 CALCR (0.68) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29382839 0.90 CALCR (0.65) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662149 0.90 CALCR (0.66) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31688332 0.89 OPRM1 (0.61) CALCRKEAP1OPRM1OPRD1OPRK1
SCHEMBL30495646 0.89 CALCR (0.65) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567763 0.89 CALCR (0.73) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662077 0.88 CALCR (0.67) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11659064 0.88 CALCR (0.66) CALCRCRHR1CRHR2NPY2RNPY4R

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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