SCHEMBL5744264

SCHEMBL5744264

COc1ccc2ncc(Cl)c(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@@H](O)C3)c2n1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.84
SLC2A1 P11166 2/20 0.53

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
SCHEMBL5744268 1.00 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5745122 1.00 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5744274 1.00 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5745113 1.00 KCNH2 (0.84) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5745628 0.99 KCNH2 (0.83) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5745634 0.99 KCNH2 (0.83) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5745633 0.99 KCNH2 (0.83) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5746144 0.91 KCNH2 (0.99) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5746133 0.91 KCNH2 (0.99) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6080701 0.91 KCNH2 (0.99) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed