SCHEMBL30974523

SCHEMBL30974523

C[C@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@H](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)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.57
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ C5AR1 P21730 2/20 0.52
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ PRMT1 Q99873 1/20 0.50
▸ IL23R Q5VWK5 1/20 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
SCHEMBL30974269 0.97 CXCR4 (0.57) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974107 0.94 CXCR4 (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974490 0.90 CXCR4 (0.58) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30973986 0.89 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL18642508 0.85 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL20493787 0.85 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29867534 0.85 CXCR4 (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974132 0.85 PRMT1 (0.64) PRMT1IL23R
SCHEMBL31516395 0.84 CXCR4 (0.57) CXCR4CAPN1CTSB
SCHEMBL31127571 0.83 GHSR (0.54) CXCR4

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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