SCHEMBL5745196

SCHEMBL5745196

COc1ccc2ncc(F)c(C(O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 1.00

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 SCHEMBL5744912 0.98 KCNH2 (0.97) KCNH2
Hydrochloric Acid SCHEMBL5745457 0.90 KCNH2 (0.82) KCNH2
Hydrochloric Acid SCHEMBL5747801 0.89 KCNH2 (0.80) KCNH2
SCHEMBL5745184 0.87 KCNH2 (0.77) KCNH2
Hydrochloric Acid SCHEMBL5744845 0.87 KCNH2 (0.76) KCNH2
SCHEMBL14519830 0.86 KCNH2 (1.00) KCNH2
SCHEMBL21878354 0.84 KCNH2 (0.73) KCNH2
SCHEMBL21878355 0.84 KCNH2 (0.73) KCNH2
SCHEMBL21935754 0.84 KCNH2 (0.73) KCNH2
SCHEMBL16274116 0.84 KCNH2 (1.00) KCNH2

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 claimed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP claimed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO claimed