SCHEMBL5308281

SCHEMBL5308281

COc1ccc2nccc(C(O)CN3CCC(NCc4cnc5c(c4)NCCS5)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.63
SLC2A1 P11166 10/20 0.57

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
SCHEMBL5258787 1.00 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL5309364 0.89 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL5258710 0.85 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL4276818 0.82 KCNH2 (0.66) KCNH2SLC2A1
SCHEMBL4276476 0.82 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL27595294 0.82 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL5255716 0.81 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL5304487 0.81 KCNH2 (0.83) KCNH2SLC2A1
SCHEMBL5258498 0.80 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL5258502 0.80 KCNH2 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed