SCHEMBL6982544

SCHEMBL6982544

COc1ccc2nccc([C@@H](O)CN3CCN(CC(O)CNc4cc(F)cc(F)c4)CC3)c2c1.COc1ccc2nccc([C@@H](O)CN3CCN(CC4CN(c5cc(F)cc(F)c5)C(=O)O4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.44
KCNH2 Q12809 3/20 0.44
SIGMAR1 Q99720 4/20 0.41

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
SCHEMBL5755499 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5755501 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5755495 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5758524 0.91 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1
SCHEMBL5758527 0.91 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1
SCHEMBL5758157 0.87 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5756002 0.87 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5758163 0.87 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5752225 0.86 SLC2A1 (0.51) SLC2A1KCNH2
SCHEMBL7086857 0.86 SLC2A1 (0.51) SLC2A1KCNH2

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-1343765-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050040-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-06-27 WO claimed