SCHEMBL5255757

SCHEMBL5255757

COc1ccc2nccc([C@H](CO)N3CCC(N)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
SLC2A1 P11166 4/20 0.40

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
SCHEMBL6630462 0.88 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL6206236 0.84 PTPN11 (0.37) KCNH2
SCHEMBL5256971 0.81 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5256973 0.81 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5252383 0.81 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL3378403 0.81 KCNH2 (0.42) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5253585 0.80 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL7017484 0.79 CYP2D6 (0.48) KCNH2SLC2A1
Oxalic Acid SCHEMBL5418955 0.77 SLC2A1 (0.64) KCNH2SLC2A1
SCHEMBL1712385 0.75 KCNH2 (0.41) 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