SCHEMBL5765611

SCHEMBL5765611

COc1ccc2nccc(NC(=O)OC3CCN(CCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.60

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
SCHEMBL14573157 0.89 KCNH2 (0.73) KCNH2
SCHEMBL5764517 0.89 KCNH2 (0.58) KCNH2
SCHEMBL5749375 0.86 KCNH2 (0.59) KCNH2
SCHEMBL5764668 0.84 KCNH2 (0.53) KCNH2
Hydrochloric Acid SCHEMBL6760325 0.84 KCNH2 (0.70) KCNH2
SCHEMBL5764918 0.83 KCNH2 (0.45) KCNH2
SCHEMBL5762645 0.83 KCNH2 (0.53) KCNH2
SCHEMBL5765930 0.81 KCNH2 (0.53) KCNH2
SCHEMBL6669043 0.80 KCNH2 (0.54) KCNH2
SCHEMBL5764847 0.79 KCNH2 (0.48) 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-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed