SCHEMBL8032400

SCHEMBL8032400

CN(C)CCCN(C)C(=Nc1ccccc1Br)Nc1ccc(C#N)cc1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.47
CXCR1 P25024 7/20 0.47
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 2/20 0.31
CACNA1B Q00975 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8032367 0.94 CXCR2 (0.49) CXCR2CXCR1ALDH1A1SIGMAR1
SCHEMBL8031959 0.87 CXCR2 (0.50) CXCR2CXCR1ALDH1A1SIGMAR1
SCHEMBL8034421 0.83 CXCR2 (0.52) CXCR2CXCR1ALDH1A1SIGMAR1
SCHEMBL8032074 0.82 CXCR2 (0.51) CXCR2CXCR1ALDH1A1SIGMAR1
SCHEMBL8022670 0.82 CXCR2 (0.51) CXCR2CXCR1ALDH1A1
SCHEMBL8022708 0.81 CXCR2 (0.52) CXCR2CXCR1ALDH1A1
SCHEMBL6817701 0.73 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL8032395 0.73 CXCR2 (0.56) CXCR2CXCR1ALDH1A1TDP1SLC6A4
SCHEMBL7212596 0.72 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL8032363 0.71 CXCR2 (0.58) CXCR2CXCR1ALDH1A1TDP1CACNA1B

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