SCHEMBL14450820

SCHEMBL14450820

CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccno1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 1.00
CXCR1 P25024 18/20 1.00
CCR7 P32248 1/20 0.73
CCR6 P51684 1/20 0.73

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
SCHEMBL12262796 1.00 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL12262797 0.86 CXCR2 (0.76) CXCR2CXCR1CCR7CCR6
SCHEMBL12262817 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL248387 0.85 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12086651 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL12262228 0.85 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262696 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL12087264 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL12262820 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL13590634 0.85 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6

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-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed