SCHEMBL13479605

SCHEMBL13479605

C=C1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C1N[C@H]1CCCC[C@@H]1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 16/20 0.55
▸ CCR6 P51684 4/20 0.49
▸ CXCR1 P25024 5/20 0.43
▸ CCR7 P32248 1/20 0.41

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
SCHEMBL13479627 0.88 CXCR2 (0.52) CXCR2CCR6CXCR1
SCHEMBL13479527 0.88 CXCR2 (0.52) CXCR2CCR6CXCR1
SCHEMBL13479682 0.88 CXCR2 (0.52) CXCR2CCR6CXCR1CCR7
SCHEMBL13479554 0.87 CXCR2 (0.69) CXCR2CCR6CXCR1CCR7
SCHEMBL14450836 0.86 CXCR2 (0.53) CXCR2CCR6CXCR1
SCHEMBL14450207 0.86 CXCR2 (0.50) CXCR2CCR6CXCR1
SCHEMBL14450744 0.82 CXCR2 (0.47) CXCR2CCR6CXCR1
SCHEMBL12263178 0.82 CXCR2 (0.78) CXCR2CCR6CXCR1
SCHEMBL12262421 0.82 CXCR2 (0.78) CXCR2CCR6CXCR1
SCHEMBL12263167 0.80 CXCR2 (0.74) CXCR2CCR6CXCR1

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-1818325-B1 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORP (US) 2010-02-24 — — EP disclosed
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