SCHEMBL4225682

SCHEMBL4225682

COc1ccc2nccc(N3CCC(N(C)C(=O)C=NCc4ccc5c(n4)NC(=O)CO5)C3)c2n1.COc1ccc2nccc(N3CCC(NCCNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41

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
SCHEMBL3176261 0.83 KCNH2 (0.40) KCNH2
SCHEMBL3184114 0.75 KCNH2 (0.57) KCNH2
SCHEMBL3178236 0.75 KCNH2 (0.44) KCNH2
Hydrochloric Acid SCHEMBL3162918 0.75 KCNH2 (0.44) KCNH2
Hydrochloric Acid SCHEMBL3178384 0.75 KCNH2 (0.57) KCNH2
SCHEMBL3177668 0.74 KCNH2 (0.49) KCNH2
SCHEMBL4065072 0.74 SIRT2 (0.39)
SCHEMBL3175737 0.74 CYP8B1 (0.40) KCNH2
SCHEMBL3176259 0.73 CYP8B1 (0.39)
SCHEMBL4070188 0.71 HTR1A (0.42)

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-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed