SCHEMBL7063173

SCHEMBL7063173

N#CNC(=Nc1cccc(Cl)c1Cl)Nc1ccc(C#N)cc1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.46
CXCR1 P25024 13/20 0.46
TRPV1 Q8NER1 1/20 0.40
ABCC9 O60706 1/20 0.36
KCNJ11 Q14654 1/20 0.36
S100B P04271 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL6817701 0.82 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL6817607 0.79 CXCR2 (0.53) CXCR2CXCR1ABCC9KCNJ11
SCHEMBL7063167 0.77 CXCR2 (0.46) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL7063170 0.77 CXCR2 (0.46) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL6922794 0.75 CXCR1 (0.47) CXCR2CXCR1TRPV1
SCHEMBL5595003 0.73 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL6918837 0.72 CXCR1 (0.47) CXCR2CXCR1
SCHEMBL7212596 0.68 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL7514963 0.67 CXCR2 (0.73) CXCR2CXCR1TRPV1
SCHEMBL7212775 0.67 CXCR2 (0.51) 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 3 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-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