SCHEMBL3669003

SCHEMBL3669003

COc1ccc(NCC(=O)O)c(Nc2ccc3c(c2)CCC(N(Cc2cc4c(cn2)OCCO4)C(=O)OC(C)(C)C)C3)n1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.35

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
SCHEMBL3013394 0.93 KCNH2 (0.34) KCNH2
SCHEMBL3025535 0.82 KCNH2 (0.39) KCNH2
SCHEMBL3016694 0.80 KCNH2 (0.37) KCNH2
SCHEMBL3016687 0.80 KCNH2 (0.37) KCNH2
SCHEMBL3666877 0.78 NR1H2 (0.34) KCNH2
SCHEMBL3020655 0.77 MCHR1 (0.34) KCNH2
SCHEMBL3670277 0.71 KCNH2 (0.32) KCNH2
SCHEMBL3024834 0.69 KCNH2 (0.47) KCNH2
SCHEMBL3013221 0.69 MCHR1 (0.35) KCNH2
SCHEMBL4437994 0.68 KCNH2 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed