SCHEMBL5771874

SCHEMBL5771874

COc1ccc2nccc(NC(=O)ON3CCN(CC(O)c4ccc5c(c4)NC(=O)CO5)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.41
SLC2A1 P11166 4/20 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
SCHEMBL5765233 0.89 SLC2A1 (0.43) KCNH2SLC2A1
SCHEMBL14573160 0.88 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL5776448 0.86 HTR1D (0.46) KCNH2
SCHEMBL5748163 0.79 KCNH2 (0.44) KCNH2SLC2A1
Oxalic Acid SCHEMBL5749364 0.78 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL5748849 0.76 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL7099789 0.76 HTR1D (0.47) KCNH2
SCHEMBL5767030 0.76 SLC2A1 (0.43) KCNH2SLC2A1
SCHEMBL5764977 0.75 HTR1D (0.53) KCNH2
SCHEMBL5764950 0.75 HTR1A (0.51) 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-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed