SCHEMBL4776256

SCHEMBL4776256

COc1ccc2ncc(Cl)c(CCC3CCC(NCc4ccc5c(n4)SC(=O)CN5)CN3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.40
SLC2A1 P11166 1/20 0.35
KCNQ1 P51787 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL4776255 0.88 KCNH2 (0.42) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL4522581 0.82 KCNH2 (0.58) KCNH2
SCHEMBL4515145 0.80 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL4775896 0.80 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL4521791 0.78 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL4506334 0.73 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL4515650 0.72 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL4508624 0.71 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL4508632 0.71 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL4512936 0.69 KCNH2 (0.49) KCNH2KCNQ1CACNA1C

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