SCHEMBL5263477

SCHEMBL5263477

COc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2nnc(CN[C@@H]3CCCC[C@H]3O)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41

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
SCHEMBL5263076 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5259614 0.89 KCNH2 (0.46) KCNH2
SCHEMBL14498878 0.87 KCNH2 (0.48) KCNH2
SCHEMBL14498881 0.87 KCNH2 (0.48) KCNH2
SCHEMBL5262807 0.85 KCNH2 (0.45) KCNH2
SCHEMBL5262137 0.85 KCNH2 (0.45) KCNH2
SCHEMBL5259148 0.82 KCNH2 (0.39) KCNH2
SCHEMBL5261243 0.82 KCNH2 (0.52) KCNH2
SCHEMBL5260489 0.82 KCNH2 (0.39) KCNH2
SCHEMBL5262789 0.82 KCNH2 (0.52) 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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed