SCHEMBL3672261

SCHEMBL3672261

COc1ccc2ncc(=O)n(CC[C@@H](O)CN3CCC(NC(=O)O)CC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.51
SLC2A1 P11166 2/20 0.38

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
SCHEMBL3672251 1.00 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3671721 0.93 KCNH2 (0.44) KCNH2
SCHEMBL3671713 0.93 KCNH2 (0.44) KCNH2
SCHEMBL922902 0.89 KCNH2 (0.63) KCNH2
SCHEMBL909966 0.84 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL910385 0.84 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL909967 0.84 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL4128028 0.81 KCNH2 (0.54) KCNH2
SCHEMBL10313830 0.78 KCNH2 (0.59) KCNH2
SCHEMBL15850859 0.77 KCNH2 (0.44) 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