SCHEMBL4777332

SCHEMBL4777332

COc1ccc2ccc(=O)n(CCN3CCC(C(NC(=O)O)(C(=O)C(C)(C)C)n4c(=O)ccc5ccc(OC)cc54)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.46

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
SCHEMBL922760 0.78 KCNH2 (0.58) KCNH2
SCHEMBL707943 0.75 KCNH2 (0.51) KCNH2
SCHEMBL6369193 0.74 KCNH2 (0.54) KCNH2
SCHEMBL4303218 0.74 KCNH2 (0.45) KCNH2
SCHEMBL706949 0.74 KCNH2 (0.56) KCNH2
SCHEMBL4303215 0.70 KCNH2 (0.49) KCNH2
SCHEMBL4304138 0.69 KCNH2 (0.48) KCNH2
SCHEMBL4298845 0.69 KCNH2 (0.48) KCNH2
SCHEMBL3861862 0.68 KCNH2 (0.44) KCNH2
SCHEMBL2796210 0.68 ALDH1A1 (0.46)

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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed