SCHEMBL7720920

SCHEMBL7720920

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4cnccn4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 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
SCHEMBL7727968 0.96 KCNH2 (0.56) KCNH2
SCHEMBL7724721 0.92 KCNH2 (0.43) KCNH2
SCHEMBL7726797 0.91 KCNH2 (0.54) KCNH2
SCHEMBL7729185 0.91 KCNH2 (0.43) KCNH2
SCHEMBL7729181 0.91 KCNH2 (0.43) KCNH2
SCHEMBL7732714 0.91 KCNH2 (0.52) KCNH2
SCHEMBL6605807 0.90 KCNH2 (0.40) KCNH2
SCHEMBL7720499 0.89 KCNH2 (0.53) KCNH2
SCHEMBL7724852 0.89 KCNH2 (0.52) KCNH2
SCHEMBL7728125 0.89 KCNH2 (0.55) 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