SCHEMBL3825007

SCHEMBL3825007

COc1ccc2ncc(F)c(CCN3CC(O)C(C)(CNC(=O)O)C3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.49
SLC2A1 P11166 2/20 0.46

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
SCHEMBL13382289 0.89 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL3273062 0.86 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3373314 0.85 SLC2A1 (0.56) KCNH2SLC2A1
SCHEMBL3842508 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3867335 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3842515 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3842504 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3867338 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3272872 0.83 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL3827676 0.82 SLC2A1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed