SCHEMBL6917271

SCHEMBL6917271

CC(C)Cc1c(C#N)ccc(N=C(NC#N)Nc2ccccc2Br)c1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.43
CXCR1 P25024 19/20 0.43
ADRB3 P13945 1/20 0.34
TSPO P30536 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL6817257 0.87 CXCR2 (0.43) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817510 0.83 CXCR2 (0.56) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6917264 0.81 CXCR2 (0.48) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6917268 0.81 CXCR2 (0.48) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7614982 0.78 CXCR2 (0.46) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550790 0.77 CXCR2 (0.67) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817381 0.75 CXCR1 (0.44) CXCR2CXCR1
SCHEMBL6817254 0.67 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817256 0.67 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817506 0.63 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed