SCHEMBL5774603

SCHEMBL5774603

COc1cc(F)c2nccc([C@@H](O)CN3CCC(NCC4COc5cccnc5O4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
SLC2A1 P11166 14/20 0.45
LTA4H P09960 1/20 0.38

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
SCHEMBL5774598 1.00 KCNH2 (0.48) KCNH2SLC2A1LTA4H
SCHEMBL5726860 0.78 SLC2A1 (0.49) KCNH2SLC2A1
SCHEMBL4275516 0.72 SLC2A1 (0.44) KCNH2SLC2A1
SCHEMBL4275507 0.72 SLC2A1 (0.44) KCNH2SLC2A1
SCHEMBL4275515 0.72 SLC2A1 (0.44) KCNH2SLC2A1
SCHEMBL3250180 0.71 SLC2A1 (0.42) KCNH2SLC2A1
SCHEMBL3250184 0.71 SLC2A1 (0.42) KCNH2SLC2A1
SCHEMBL5796470 0.70 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL5727277 0.67 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL5728549 0.67 SLC2A1 (0.61) 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-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed