SCHEMBL3665289

SCHEMBL3665289

COc1ccc2ncc(=O)n(CCC(O)CN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)O)CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 19/20 0.60

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
SCHEMBL910254 0.92 KCNH2 (0.55) KCNH2
SCHEMBL3839224 0.91 KCNH2 (0.72) KCNH2
SCHEMBL910255 0.89 KCNH2 (0.52) KCNH2
SCHEMBL4140282 0.85 KCNH2 (0.63) KCNH2
SCHEMBL3859386 0.83 KCNH2 (0.72) KCNH2
SCHEMBL4779465 0.82 KCNH2 (0.65) KCNH2
SCHEMBL4779477 0.82 KCNH2 (0.57) KCNH2
SCHEMBL4296810 0.81 KCNH2 (0.57) KCNH2
SCHEMBL909967 0.81 KCNH2 (0.45) KCNH2
SCHEMBL910385 0.81 KCNH2 (0.45) 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
EP-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed