SCHEMBL7726647

SCHEMBL7726647

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4sccc4Cl)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52

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
SCHEMBL7732222 0.98 KCNH2 (0.52) KCNH2
SCHEMBL7721384 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7725695 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7728674 0.91 KCNH2 (0.43) KCNH2
SCHEMBL7728669 0.91 KCNH2 (0.43) KCNH2
SCHEMBL7726813 0.90 KCNH2 (0.52) KCNH2
SCHEMBL7727044 0.89 KCNH2 (0.43) KCNH2
SCHEMBL7721091 0.89 KCNH2 (0.54) KCNH2
SCHEMBL7726907 0.89 KCNH2 (0.43) KCNH2
SCHEMBL7726912 0.89 KCNH2 (0.43) 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