SCHEMBL30974490

SCHEMBL30974490

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.58
▸ C5AR1 P21730 2/20 0.54
▸ DPP3 Q9NY33 1/20 0.54
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ GNRHR P30968 1/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50

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
SCHEMBL30974523 0.90 CXCR4 (0.57) CXCR4C5AR1CAPN1CTSBNPY1R
SCHEMBL30921660 0.89 DPP3 (0.64) CXCR4C5AR1DPP3NTSR2NTSR1
SCHEMBL30974107 0.89 CXCR4 (0.59) CXCR4C5AR1CAPN1CTSBNPY1R
SCHEMBL30974269 0.88 CXCR4 (0.57) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31158220 0.86 CXCR4 (0.68) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL31147165 0.85 CXCR4 (0.55) CXCR4DPP3NTSR2NTSR1SORT1
SCHEMBL30974073 0.85 CXCR4 (0.61) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL20493787 0.84 CXCR4 (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL18642508 0.84 CXCR4 (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30536328 0.84 CXCR4 (0.68) CXCR4C5AR1NPY1RNPY2RNPY4R

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 1 patent. 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 disclosed
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