SCHEMBL7101571

SCHEMBL7101571

COc1ccc2nccc([C@@H](O)CN3CCC(NCC4=NC=CCC4)CC3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.66
SLC2A1 P11166 5/20 0.61

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
SCHEMBL7019851 0.86 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL14610801 0.82 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL4277694 0.80 KCNH2 (0.70) KCNH2SLC2A1
SCHEMBL5251905 0.80 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL5253179 0.79 KCNH2 (0.78) KCNH2SLC2A1
SCHEMBL14519830 0.79 KCNH2 (1.00) KCNH2SLC2A1
SCHEMBL5773885 0.79 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL6834992 0.79 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5250639 0.79 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5252383 0.78 KCNH2 (0.60) 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-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP claimed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO claimed