SCHEMBL7728503

SCHEMBL7728503

COc1ccc2nccc([C@@H](O)CCC3CCN(CCCc4ccc(F)cc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54

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
SCHEMBL7728498 1.00 KCNH2 (0.54) KCNH2
SCHEMBL7723952 0.98 KCNH2 (0.54) KCNH2
SCHEMBL7723949 0.98 KCNH2 (0.54) KCNH2
SCHEMBL7727712 0.96 KCNH2 (0.57) KCNH2
SCHEMBL7727714 0.96 KCNH2 (0.57) KCNH2
SCHEMBL7726550 0.94 KCNH2 (0.55) KCNH2
SCHEMBL7726580 0.94 KCNH2 (0.55) KCNH2
SCHEMBL7726554 0.94 KCNH2 (0.55) KCNH2
SCHEMBL7726576 0.94 KCNH2 (0.55) KCNH2
SCHEMBL7726583 0.94 KCNH2 (0.55) 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
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed