SCHEMBL14573151

SCHEMBL14573151

COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc5oc(=O)[nH]c5c4)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.47

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
SCHEMBL5765881 0.91 KCNH2 (0.45) KCNH2
SCHEMBL6664492 0.86 KCNH2 (0.41) KCNH2
SCHEMBL14573145 0.86 KCNH2 (0.48) KCNH2
SCHEMBL14573144 0.83 KCNH2 (0.61) KCNH2
SCHEMBL14573143 0.83 KCNH2 (0.55) KCNH2
SCHEMBL14573147 0.83 KCNH2 (0.49) KCNH2
SCHEMBL14573146 0.82 KCNH2 (0.49) KCNH2
SCHEMBL14573142 0.81 KCNH2 (0.44) KCNH2
SCHEMBL5763984 0.77 KCNH2 (0.45) KCNH2
SCHEMBL14573148 0.77 KCNH2 (0.47) 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