SCHEMBL5304993

SCHEMBL5304993

COc1ccc2nccc(CCN3CCC(N)CC3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.61

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
SCHEMBL30364151 1.00 KCNH2 (0.61) KCNH2
SCHEMBL3243864 0.87 KCNH2 (0.56) KCNH2
SCHEMBL3240499 0.87 KCNH2 (0.56) KCNH2
SCHEMBL3249115 0.87 KCNH2 (0.56) KCNH2
SCHEMBL3243861 0.87 KCNH2 (0.56) KCNH2
SCHEMBL3249117 0.87 KCNH2 (0.56) KCNH2
SCHEMBL14610793 0.87 KCNH2 (0.67) KCNH2
SCHEMBL1147506 0.86 KCNH2 (0.61) KCNH2
SCHEMBL3955585 0.86 KCNH2 (0.55) KCNH2
SCHEMBL14610790 0.85 KCNH2 (0.70) KCNH2

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-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed