SCHEMBL3717890

SCHEMBL3717890

CC[C@@H](Nc1c(Nc2cc(F)cnc2OC)c(=O)c1=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.48
CXCR1 P25024 4/20 0.46
CCR6 P51684 1/20 0.43

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
SCHEMBL3717892 1.00 CXCR2 (0.48) CXCR2CXCR1CCR6
SCHEMBL13075725 0.88 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL3719173 0.85 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL3719169 0.85 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL248014 0.77 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL3790926 0.76 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL3790925 0.76 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL248194 0.75 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL3712846 0.74 CXCR2 (0.50) CXCR2CXCR1CCR6
SCHEMBL3712842 0.74 CXCR2 (0.50) CXCR2CXCR1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed