SCHEMBL4436095

SCHEMBL4436095

O=C(O)N1CCC(NCc2cc3c(cn2)OCCO3)C(O)C1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.52

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
SCHEMBL3229809 1.00 KCNH2 (0.52) KCNH2
SCHEMBL4143197 1.00 KCNH2 (0.52) KCNH2
SCHEMBL4144862 0.86 KCNH2 (0.49) KCNH2
Bicarbonate SCHEMBL4039850 0.81 KCNH2 (0.45) KCNH2
SCHEMBL3584782 0.78 KCNH2 (0.44) KCNH2
SCHEMBL12090917 0.78 KCNH2 (0.46) KCNH2
SCHEMBL5745688 0.76 KCNH2 (0.50) KCNH2
SCHEMBL11999873 0.76 KCNH2 (0.52) KCNH2
SCHEMBL6079327 0.75 KCNH2 (0.44) KCNH2
SCHEMBL10313859 0.74 KCNH2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed