SCHEMBL7725449

SCHEMBL7725449

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4cccc(F)c4F)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7720491 0.97 KCNH2 (0.47) KCNH2
SCHEMBL7727349 0.95 KCNH2 (0.44) KCNH2
SCHEMBL7723829 0.94 KCNH2 (0.43) KCNH2CYP1A2
SCHEMBL7723827 0.94 KCNH2 (0.43) KCNH2CYP1A2
SCHEMBL7731590 0.93 KCNH2 (0.44) KCNH2
SCHEMBL7727007 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7731986 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7724924 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7724926 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7731936 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