SCHEMBL7729697

SCHEMBL7729697

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4c(F)cccc4F)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.53

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
SCHEMBL7721113 0.96 KCNH2 (0.57) KCNH2
SCHEMBL7727007 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7728389 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7731590 0.92 KCNH2 (0.44) KCNH2
SCHEMBL7733411 0.92 KCNH2 (0.51) KCNH2
SCHEMBL7727615 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7727781 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7727156 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7727153 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7731385 0.90 KCNH2 (0.52) 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