SCHEMBL14450771

SCHEMBL14450771

C=C1C(=O)C(N[C@H](CC)c2ccccc2)=C1Nc1cccc(C(=O)N(CCO)c2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.53
▸ CXCR1 P25024 9/20 0.53

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
SCHEMBL13479681 0.91 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL14511220 0.85 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL12263073 0.84 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL13479470 0.83 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL14450831 0.75 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL14450117 0.75 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL14450151 0.74 CXCR2 (0.57) CXCR2CXCR1
SCHEMBL12263148 0.74 CXCR2 (0.78) CXCR2CXCR1
SCHEMBL12311077 0.73 CXCR2 (0.80) CXCR2CXCR1
SCHEMBL12263062 0.73 CXCR2 (0.80) 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-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
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