SCHEMBL5745865

SCHEMBL5745865

COc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 1.00
SLC2A1 P11166 2/20 0.68

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
Hydrochloric Acid SCHEMBL5746324 0.99 KCNH2 (0.98) KCNH2SLC2A1
SCHEMBL16274116 0.91 KCNH2 (1.00) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5794315 0.90 KCNH2 (0.98) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5745063 0.89 KCNH2 (0.80) KCNH2SLC2A1
SCHEMBL5744274 0.88 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5745113 0.88 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5744268 0.88 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5745122 0.88 KCNH2 (0.84) KCNH2SLC2A1
SCHEMBL5744264 0.88 KCNH2 (0.84) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5745634 0.88 KCNH2 (0.83) 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