SCHEMBL6526466

SCHEMBL6526466

COc1c(N2CCC(C(O)CO)CC2)c(F)c(Nc2c(F)c(N3CCC(C(O)CCO)CC3)c(OC)c3c2c(=O)n(N)c(=O)n3C2CC2)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6527629 0.80
SCHEMBL6529316 0.77
SCHEMBL6530885 0.76
SCHEMBL5435812 0.74
SCHEMBL6370029 0.74 KCNH2 (0.47) KCNH2
SCHEMBL6370780 0.73 KCNH2 (0.46) KCNH2
SCHEMBL6669787 0.73 KCNH2 (0.37) KCNH2
SCHEMBL6530172 0.73
SCHEMBL6370759 0.72 KCNH2 (0.44) KCNH2
SCHEMBL6371300 0.71 KCNH2 (0.43) 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
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed