SCHEMBL3827738

SCHEMBL3827738

COc1ccc2ncc(F)c(CCN3C[C@@H](C(N)=O)[C@H](C(NC(=O)O)C(C)(C)C)C3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
KCNH2 Q12809 8/20 0.43

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
SCHEMBL3828952 0.84 KCNH2 (0.47) SLC2A1KCNH2
SCHEMBL14342261 0.84 KCNH2 (0.47) SLC2A1KCNH2
SCHEMBL13382582 0.84 KCNH2 (0.47) SLC2A1KCNH2
SCHEMBL5259728 0.82 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3277380 0.81 KCNH2 (0.46) SLC2A1KCNH2
SCHEMBL13382316 0.80 KCNH2 (0.44) SLC2A1KCNH2
SCHEMBL5258539 0.79 SLC2A1 (0.45) SLC2A1KCNH2
SCHEMBL13382583 0.79 KCNH2 (0.43) SLC2A1KCNH2
SCHEMBL3373314 0.77 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL3829129 0.75 KCNH2 (0.55) SLC2A1KCNH2

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