SCHEMBL5748849

SCHEMBL5748849

COc1ccc2nccc(NC(=O)OC3(O)CCN(C[C@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.53
SLC2A1 P11166 4/20 0.44

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
SCHEMBL5765930 0.86 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL14573159 0.84 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL5749375 0.82 KCNH2 (0.59) KCNH2
SCHEMBL5750940 0.81 KCNH2 (0.54) KCNH2
SCHEMBL5750945 0.76 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL5771874 0.76 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL5765233 0.75 SLC2A1 (0.43) KCNH2SLC2A1
SCHEMBL5750641 0.73 KCNH2 (0.52) KCNH2
SCHEMBL14573160 0.73 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL5775582 0.72 KCNH2 (0.58) 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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP claimed