SCHEMBL5326141

SCHEMBL5326141

COc1ccc2ncc(F)c(CCN3CC4C(N)[C@@H]4C3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.52
SLC2A1 P11166 2/20 0.49

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
SCHEMBL14087079 1.00 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL4914547 1.00 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL4908533 1.00 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL3281569 0.89 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL5616919 0.89 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL5540961 0.88 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL5653974 0.88 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL3188033 0.87 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL5746094 0.85 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL3286118 0.85 KCNH2 (0.53) KCNH2SLC2A1

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-1773847-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006010040-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-26 WO disclosed