SCHEMBL7728778

SCHEMBL7728778

COc1ccc2nccc(C(O)CC[C@@H]3CCN(CCCCc4cccc(Cl)c4Cl)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.64

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
SCHEMBL7728788 1.00 KCNH2 (0.64) KCNH2
SCHEMBL7728782 1.00 KCNH2 (0.64) KCNH2
SCHEMBL7725978 0.98 KCNH2 (0.64) KCNH2
SCHEMBL7725991 0.98 KCNH2 (0.64) KCNH2
SCHEMBL7725985 0.98 KCNH2 (0.64) KCNH2
SCHEMBL7726433 0.94 KCNH2 (0.65) KCNH2
SCHEMBL7726438 0.94 KCNH2 (0.65) KCNH2
SCHEMBL7726430 0.94 KCNH2 (0.65) KCNH2
SCHEMBL7725180 0.93 KCNH2 (0.54) KCNH2
SCHEMBL7725185 0.93 KCNH2 (0.54) 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