SCHEMBL7726397

SCHEMBL7726397

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ccccc4Cl)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 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
SCHEMBL7731378 0.96 KCNH2 (0.57) KCNH2
SCHEMBL7728563 0.94 KCNH2 (0.52) KCNH2
SCHEMBL7727781 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7720753 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7729131 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7728077 0.92 KCNH2 (0.44) KCNH2
SCHEMBL7728389 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7720756 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7720758 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7721548 0.91 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