SCHEMBL30974020

SCHEMBL30974020

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.61
▸ NPY2R P49146 2/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ C5AR1 P21730 1/20 0.53
▸ RAMP3 O60896 5/20 0.52
▸ CALCR P30988 5/20 0.52
▸ MC4R P32245 1/20 0.52
▸ MC5R P33032 1/20 0.52
▸ MC3R P41968 1/20 0.52
▸ MC1R Q01726 1/20 0.52
▸ CTSL P07711 1/20 0.51
▸ CTSH P09668 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 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
SCHEMBL30974510 0.98 CXCR4 (0.63) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL31005068 0.94 CXCR4 (0.60) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974447 0.94 CXCR4 (0.65) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974222 0.94 CXCR4 (0.65) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974412 0.92 CXCR4 (0.64) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974073 0.90 CXCR4 (0.61) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974492 0.89 CXCR4 (0.65) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974438 0.86 CXCR4 (0.58) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974375 0.86 CXCR4 (0.58) CXCR4NPY2RNPY1RNPY4RNPY5R
SCHEMBL30974340 0.86 CXCR4 (0.59) CXCR4NPY2RNPY1RNPY4RNPY5R

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 6 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
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
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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