SCHEMBL3288737

SCHEMBL3288737

O=c1ccc2cccc(CCN3CCC(NCc4ccc5c(n4)NCCS5)CC3)c2o1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.39

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
SCHEMBL3281963 0.87 KCNH2 (0.42) KCNH2
SCHEMBL3285006 0.74 KCNH2 (0.55) KCNH2
SCHEMBL13324269 0.73 TBXA2R (0.41)
SCHEMBL3285028 0.71 DRD4 (0.46)
SCHEMBL21372226 0.70 TOP2A (0.44) KCNH2
SCHEMBL3330053 0.70 TOP2A (0.44) KCNH2
SCHEMBL13324277 0.70 TBXA2R (0.43)
Hydrochloric Acid SCHEMBL3281041 0.69 TBXA2R (0.42) KCNH2
SCHEMBL5927783 0.68 KCNH2 (0.56) KCNH2
Hydrochloric Acid SCHEMBL4498000 0.68 KCNH2 (0.55) 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-7709496-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed