SCHEMBL14511574

SCHEMBL14511574

CNC(=O)c1cccc(Nc2c(NC(C)c3ccco3)c(=O)c2=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.61
CXCR1 P25024 13/20 0.61
CCR7 P32248 1/20 0.48

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
SCHEMBL12086685 0.86 CXCR2 (0.81) CXCR2CXCR1CCR7
SCHEMBL246917 0.86 CXCR2 (0.81) CXCR2CXCR1CCR7
SCHEMBL12086687 0.86 CXCR2 (0.81) CXCR2CXCR1CCR7
SCHEMBL14511437 0.84 CXCR2 (0.67) CXCR2CXCR1CCR7
SCHEMBL12086678 0.84 CXCR2 (0.67) CXCR2CXCR1CCR7
SCHEMBL14511509 0.81 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL12087153 0.80 CXCR2 (0.74) CXCR2CXCR1
SCHEMBL14511369 0.80 CXCR2 (0.65) CXCR2CXCR1CCR7
SCHEMBL12086772 0.79 CXCR2 (0.63) CXCR2CXCR1CCR7
SCHEMBL12087149 0.79 CXCR2 (0.67) CXCR2CXCR1CCR7

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