SCHEMBL6917264

SCHEMBL6917264

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.48
CXCR1 P25024 12/20 0.48
ADRB3 P13945 1/20 0.38
TSPO P30536 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ANPEP P15144 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6917268 1.00 CXCR2 (0.48) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817256 0.86 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817254 0.86 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550790 0.86 CXCR2 (0.67) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817964 0.82 CXCR2 (0.41) CXCR2CXCR1ALDH1A1
SCHEMBL6817506 0.82 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817502 0.82 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6917271 0.81 CXCR2 (0.43) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7614980 0.77 CXCR2 (0.54) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7614978 0.77 CXCR2 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US claimed
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
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US 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