SCHEMBL5764669

SCHEMBL5764669

COc1ccc2nccc(NC(=O)OC3CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45

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
SCHEMBL14573142 0.90 KCNH2 (0.44) KCNH2
SCHEMBL5777425 0.89 KCNH2 (0.40) KCNH2
SCHEMBL5765739 0.88 ALDH1A1 (0.40) KCNH2
SCHEMBL5751255 0.88 KCNH2 (0.38) KCNH2
SCHEMBL5750711 0.88 KCNH2 (0.40) KCNH2
SCHEMBL5750809 0.87 KCNH2 (0.38) KCNH2
SCHEMBL5747711 0.86 KCNH2 (0.38) KCNH2
SCHEMBL5767030 0.86 SLC2A1 (0.43) KCNH2
SCHEMBL5764950 0.86 HTR1A (0.51) KCNH2
SCHEMBL5746077 0.85 KCNH2 (0.40) 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