SCHEMBL5765233

SCHEMBL5765233

COc1ccc2nccc(NC(=O)OC3CCN(C[C@H](O)c4ccc5c(c4)NC(=O)CO5)CC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.43
KCNH2 Q12809 8/20 0.43
HTR1A P08908 4/20 0.40
HTR1D P28221 1/20 0.39

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
SCHEMBL14573160 0.91 KCNH2 (0.48) SLC2A1KCNH2
SCHEMBL5771874 0.89 KCNH2 (0.41) SLC2A1KCNH2
SCHEMBL5765930 0.87 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL5767030 0.87 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5764977 0.86 HTR1D (0.53) KCNH2HTR1AHTR1D
SCHEMBL5764950 0.86 HTR1A (0.51) KCNH2HTR1AHTR1D
SCHEMBL5765126 0.84 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5748163 0.78 KCNH2 (0.44) SLC2A1KCNH2
Oxalic Acid SCHEMBL5749364 0.77 KCNH2 (0.42) SLC2A1KCNH2
SCHEMBL14573154 0.77 KCNH2 (0.43) SLC2A1KCNH2

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