SCHEMBL7725629

SCHEMBL7725629

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4c(F)cccc4F)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.48

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
SCHEMBL7731590 0.96 KCNH2 (0.44) KCNH2
SCHEMBL7721275 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7721274 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7720491 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7731986 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7727292 0.92 KCNH2 (0.46) KCNH2
SCHEMBL7728469 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7731049 0.92 KCNH2 (0.48) KCNH2
SCHEMBL7721113 0.91 KCNH2 (0.57) KCNH2
SCHEMBL7727156 0.90 KCNH2 (0.44) 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