SCHEMBL7733279

SCHEMBL7733279

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccc(F)n4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 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
SCHEMBL7724594 0.97 KCNH2 (0.43) KCNH2
SCHEMBL7726764 0.92 KCNH2 (0.55) KCNH2
SCHEMBL7728083 0.91 KCNH2 (0.49) KCNH2
SCHEMBL7725476 0.90 KCNH2 (0.48) KCNH2
SCHEMBL7725629 0.90 KCNH2 (0.48) KCNH2
SCHEMBL7721667 0.88 KCNH2 (0.52) KCNH2
SCHEMBL6606210 0.88 KCNH2 (0.47) KCNH2
SCHEMBL7726313 0.88 KCNH2 (0.46) KCNH2
SCHEMBL7727640 0.88 KCNH2 (0.49) KCNH2
SCHEMBL7732013 0.88 KCNH2 (0.50) 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