SCHEMBL7725534

SCHEMBL7725534

COc1ccc2nccc([C@@H](O)CCC3CCN(CCCc4cccc(F)c4)CC3CCC(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57

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
SCHEMBL7725529 1.00 KCNH2 (0.57) KCNH2
SCHEMBL7728000 0.98 KCNH2 (0.56) KCNH2
SCHEMBL7728004 0.98 KCNH2 (0.56) KCNH2
SCHEMBL7725177 0.94 KCNH2 (0.57) KCNH2
SCHEMBL7725174 0.94 KCNH2 (0.57) KCNH2
SCHEMBL7721133 0.94 KCNH2 (0.58) KCNH2
SCHEMBL7721137 0.94 KCNH2 (0.58) KCNH2
SCHEMBL7721142 0.94 KCNH2 (0.58) KCNH2
SCHEMBL7727234 0.93 KCNH2 (0.49) KCNH2
SCHEMBL7727237 0.93 KCNH2 (0.49) 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