SCHEMBL4044878

SCHEMBL4044878

COc1ccc2cc(CCC3(O)CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47

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
SCHEMBL4041610 0.85 KCNH2 (0.54) KCNH2
SCHEMBL13407409 0.84 KCNH2 (0.44) KCNH2
SCHEMBL3574972 0.84 KCNH2 (0.44) KCNH2
SCHEMBL14498845 0.77 KCNH2 (0.63) KCNH2
SCHEMBL13407405 0.76 KCNH2 (0.49) KCNH2
SCHEMBL14341180 0.74 KCNH2 (0.53) KCNH2
SCHEMBL5752097 0.74 KCNH2 (0.51) KCNH2
SCHEMBL14402346 0.74 KCNH2 (0.41) KCNH2
SCHEMBL3284629 0.74 KCNH2 (0.41) KCNH2
SCHEMBL3284637 0.74 KCNH2 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed