SCHEMBL4774053

SCHEMBL4774053

COc1ccc2ncc(Cl)c(CC[C@H]3CC[C@H](NCc4ccc5c(n4)OC(=O)CN5)CN3C(=O)CO)c2n1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 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
SCHEMBL4523602 0.83 KCNH2 (0.60) KCNH2
SCHEMBL4523607 0.83 KCNH2 (0.60) KCNH2
SCHEMBL4511255 0.78 KCNH2 (0.60) KCNH2
SCHEMBL4511249 0.78 KCNH2 (0.60) KCNH2
SCHEMBL4793018 0.77 KCNH2 (0.58) KCNH2
SCHEMBL4793690 0.77 KCNH2 (0.58) KCNH2
SCHEMBL4517407 0.77 KCNH2 (0.58) KCNH2
SCHEMBL4522169 0.76 KCNH2 (0.61) KCNH2
SCHEMBL4497260 0.76 KCNH2 (0.61) KCNH2
SCHEMBL4498765 0.76 KCNH2 (0.61) 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