SCHEMBL14573142

SCHEMBL14573142

COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44

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
SCHEMBL5764669 0.90 KCNH2 (0.45) KCNH2
SCHEMBL5777425 0.87 KCNH2 (0.40) KCNH2
SCHEMBL14573152 0.87 KCNH2 (0.44) KCNH2
SCHEMBL5746077 0.87 KCNH2 (0.40) KCNH2
SCHEMBL5750711 0.86 KCNH2 (0.40) KCNH2
SCHEMBL5751255 0.86 KCNH2 (0.38) KCNH2
SCHEMBL14573154 0.86 KCNH2 (0.43) KCNH2
SCHEMBL14573146 0.86 KCNH2 (0.49) KCNH2
SCHEMBL14341382 0.86 KCNH2 (0.57) KCNH2
SCHEMBL5750809 0.85 KCNH2 (0.38) 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
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed