SCHEMBL8022708

SCHEMBL8022708

CC(C)N(C(=Nc1ccccc1Br)Nc1ccc(C#N)cc1O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.52
CXCR1 P25024 11/20 0.52
ALDH1A1 P00352 1/20 0.35
TBXA2R P21731 1/20 0.31

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
SCHEMBL8031959 0.85 CXCR2 (0.50) CXCR2CXCR1ALDH1A1
SCHEMBL8034421 0.85 CXCR2 (0.52) CXCR2CXCR1ALDH1A1
SCHEMBL8022670 0.84 CXCR2 (0.51) CXCR2CXCR1ALDH1A1
SCHEMBL8032074 0.84 CXCR2 (0.51) CXCR2CXCR1ALDH1A1
SCHEMBL8032367 0.82 CXCR2 (0.49) CXCR2CXCR1ALDH1A1
SCHEMBL8032400 0.81 CXCR2 (0.47) CXCR2CXCR1ALDH1A1
SCHEMBL6817701 0.77 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL7212626 0.74 CXCR2 (0.47) CXCR2CXCR1ALDH1A1
SCHEMBL7212596 0.74 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL7069156 0.74 CXCR2 (0.56) CXCR2CXCR1ALDH1A1

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
WO-2000072800-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO disclosed