SCHEMBL4775896

SCHEMBL4775896

COc1ccc2ncc(F)c(CCC3CCC(NCc4ccc5c(n4)OC(=O)CN5)CN3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.48
SLC2A1 P11166 1/20 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
SCHEMBL4776255 0.92 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL4515650 0.82 KCNH2 (0.63) KCNH2
SCHEMBL4512974 0.81 KCNH2 (0.72) KCNH2SLC2A1
SCHEMBL4506334 0.80 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL4776256 0.80 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL14358359 0.76 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL14358298 0.75 KCNH2 (0.53) KCNH2
SCHEMBL4515145 0.73 KCNH2 (0.63) KCNH2
SCHEMBL14358180 0.73 KCNH2 (0.37) KCNH2SLC2A1
SCHEMBL4504998 0.73 KCNH2 (0.51) KCNH2SLC2A1

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