SCHEMBL14511413

SCHEMBL14511413

CNC(=O)c1cccc(Nc2c(N[C@H](C)C(=O)N[C@H](C)c3ccccc3)c(=O)c2=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 18/20 0.68
▸ CXCR1 P25024 5/20 0.60
▸ CCR6 P51684 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
SCHEMBL12086760 0.90 CXCR2 (0.66) CXCR2CXCR1CCR6
SCHEMBL12311185 0.87 CXCR2 (0.81) CXCR2CXCR1CCR6
SCHEMBL13592551 0.87 CXCR2 (0.81) CXCR2CXCR1CCR6
SCHEMBL12087153 0.84 CXCR2 (0.74) CXCR2CXCR1CCR6
SCHEMBL12087240 0.81 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12087141 0.80 CCR6 (0.76) CXCR2CXCR1CCR6
SCHEMBL12086678 0.79 CXCR2 (0.67) CXCR2CXCR1CCR6
SCHEMBL14511437 0.79 CXCR2 (0.67) CXCR2CXCR1CCR6
SCHEMBL12087149 0.78 CXCR2 (0.67) CXCR2CXCR1CCR6
SCHEMBL12086754 0.78 CXCR2 (0.69) CXCR2CXCR1CCR6

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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