SCHEMBL5258451

SCHEMBL5258451

COc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4cc(F)c5c(c4)NCCO5)C3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.53
KCNH2 Q12809 11/20 0.48

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
SCHEMBL5434435 0.89 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL5258533 0.83 SLC2A1 (0.57) SLC2A1KCNH2
SCHEMBL5331566 0.82 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL5262950 0.78 SLC2A1 (0.63) SLC2A1KCNH2
SCHEMBL5257893 0.77 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL5426713 0.76 KCNH2 (0.72) SLC2A1KCNH2
SCHEMBL3277946 0.76 SLC2A1 (0.76) SLC2A1KCNH2
SCHEMBL5429897 0.76 KCNH2 (0.61) SLC2A1KCNH2
SCHEMBL3276725 0.76 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL5439667 0.75 KCNH2 (0.56) SLC2A1KCNH2

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
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed