SCHEMBL14511362

SCHEMBL14511362

CNC(=O)c1cccc(Nc2c(NC(c3cccs3)C3CC3)c(=O)c2=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.56
▸ CXCR1 P25024 15/20 0.56
▸ CCR7 P32248 1/20 0.52

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
SCHEMBL12087200 0.88 CXCR2 (0.70) CXCR2CXCR1CCR7
SCHEMBL12262735 0.88 CXCR2 (0.70) CXCR2CXCR1CCR7
SCHEMBL12086754 0.84 CXCR2 (0.69) CXCR2CXCR1CCR7
SCHEMBL12262540 0.83 CXCR2 (0.67) CXCR2CXCR1CCR7
SCHEMBL14511523 0.83 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL14511603 0.82 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL14511438 0.82 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL12086738 0.82 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL14511375 0.81 CXCR2 (0.78) CXCR2CXCR1CCR7
SCHEMBL12262877 0.77 CXCR2 (0.75) 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-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
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