SCHEMBL5263454

SCHEMBL5263454

COc1ccc2nccc(NC(=O)[C@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 1.00

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
SCHEMBL5259388 1.00 KCNH2 (1.00) KCNH2
SCHEMBL13407439 0.89 KCNH2 (0.81) KCNH2
Hydrochloric Acid SCHEMBL4560342 0.89 KCNH2 (0.80) KCNH2
Hydrochloric Acid SCHEMBL4560341 0.89 KCNH2 (0.80) KCNH2
Hydrochloric Acid SCHEMBL4560343 0.89 KCNH2 (0.80) KCNH2
SCHEMBL13633348 0.89 KCNH2 (0.81) KCNH2
SCHEMBL14341434 0.87 KCNH2 (0.77) KCNH2
SCHEMBL14341428 0.87 KCNH2 (1.00) KCNH2
SCHEMBL5261624 0.86 KCNH2 (0.79) KCNH2
SCHEMBL4496588 0.83 KCNH2 (0.82) 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