SCHEMBL14610705

SCHEMBL14610705

COc1ccc2nccc([C@@H](O)CN3CCC(N(C)C(=O)c4ccc5c(n4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL14610958 0.89 KCNH2 (0.46) SLC2A1KCNH2
SCHEMBL14434693 0.87 SLC2A1 (0.58) SLC2A1KCNH2
SCHEMBL14610956 0.86 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL14610739 0.86 KCNH2 (0.47) KCNH2
SCHEMBL5523706 0.85 KCNH2 (0.44) KCNH2
SCHEMBL5523444 0.84 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5523441 0.84 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5253125 0.82 KCNH2 (0.61) SLC2A1KCNH2
SCHEMBL5253119 0.82 KCNH2 (0.61) SLC2A1KCNH2
SCHEMBL5253128 0.82 KCNH2 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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