SCHEMBL14100644

SCHEMBL14100644

CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.69
▸ CXCR1 P25024 17/20 0.69

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
SCHEMBL14100360 0.88 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL13227287 0.88 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL13208160 0.88 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL13208185 0.87 CXCR1 (0.80) CXCR2CXCR1
SCHEMBL13208192 0.83 CXCR1 (0.71) CXCR2CXCR1
SCHEMBL14511867 0.82 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL13208127 0.82 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL13208258 0.81 CXCR1 (0.78) CXCR2CXCR1
SCHEMBL13208159 0.81 CXCR1 (1.00) CXCR2CXCR1
SCHEMBL13208141 0.81 CXCR1 (1.00) CXCR2CXCR1

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
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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