SCHEMBL4496596

SCHEMBL4496596

Cc1cnc2cccc(NC(=O)C3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.82

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
SCHEMBL4496583 1.00 KCNH2 (0.82) KCNH2
SCHEMBL4496588 1.00 KCNH2 (0.82) KCNH2
Hydrochloric Acid SCHEMBL4483217 0.99 KCNH2 (0.81) KCNH2
Hydrochloric Acid SCHEMBL4483210 0.99 KCNH2 (0.81) KCNH2
Hydrochloric Acid SCHEMBL4483213 0.99 KCNH2 (0.81) KCNH2
SCHEMBL13407439 0.91 KCNH2 (0.81) KCNH2
SCHEMBL4485277 0.90 KCNH2 (1.00) KCNH2
SCHEMBL4485283 0.90 KCNH2 (1.00) KCNH2
SCHEMBL4485290 0.90 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL4560342 0.90 KCNH2 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US claimed