SCHEMBL4768167

SCHEMBL4768167

COc1ccc2nccc(NC(=O)C3CCC(NCc4cc5c(cn4)OCCO5)CN3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.62

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
SCHEMBL4511440 1.00 KCNH2 (0.62) KCNH2
SCHEMBL4508482 0.86 KCNH2 (0.80) KCNH2
SCHEMBL4498750 0.86 KCNH2 (0.80) KCNH2
SCHEMBL4510282 0.82 KCNH2 (0.64) KCNH2
SCHEMBL4515364 0.81 KCNH2 (0.50) KCNH2
SCHEMBL4498926 0.79 KCNH2 (0.76) KCNH2
SCHEMBL4499945 0.79 KCNH2 (0.64) KCNH2
SCHEMBL4513225 0.78 KCNH2 (0.47) KCNH2
SCHEMBL4521362 0.78 KCNH2 (0.59) KCNH2
SCHEMBL14498794 0.77 KCNH2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 WO disclosed