SCHEMBL3960271

SCHEMBL3960271

COc1ccc2nccc(CCC3(O)CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
SCN9A Q15858 1/20 0.36

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
SCHEMBL3960269 0.85 KCNH2 (0.41) KCNH2
SCHEMBL3954133 0.81 KCNH2 (0.42) KCNH2
SCHEMBL3952719 0.80 KCNH2 (0.42) KCNH2
SCHEMBL3956508 0.80 OGA (0.36) KCNH2SCN9A
SCHEMBL3689266 0.78 KCNH2 (0.46) KCNH2
SCHEMBL4062339 0.77 KCNH2 (0.44) KCNH2
SCHEMBL3251999 0.76 KCNH2 (0.44) KCNH2
SCHEMBL3251995 0.76 KCNH2 (0.44) KCNH2
SCHEMBL3243307 0.76 KCNH2 (0.44) KCNH2
SCHEMBL1147898 0.75 KCNH2 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784410-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-07-15 EP disclosed
EP-1784410-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-05-16 EP disclosed
WO-2006020561-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-23 WO disclosed