SCHEMBL7728078

SCHEMBL7728078

COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCCc4ccc(C)cc4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66

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
SCHEMBL7728069 1.00 KCNH2 (0.66) KCNH2
SCHEMBL7728075 1.00 KCNH2 (0.66) KCNH2
SCHEMBL7727668 0.98 KCNH2 (0.66) KCNH2
SCHEMBL7727672 0.98 KCNH2 (0.66) KCNH2
SCHEMBL7727678 0.98 KCNH2 (0.66) KCNH2
SCHEMBL7727194 0.96 KCNH2 (0.69) KCNH2
SCHEMBL7727191 0.96 KCNH2 (0.69) KCNH2
SCHEMBL6608743 0.94 KCNH2 (0.70) KCNH2
SCHEMBL6608754 0.94 KCNH2 (0.70) KCNH2
SCHEMBL7725426 0.94 KCNH2 (0.68) 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