SCHEMBL7727191

SCHEMBL7727191

COc1ccc(CCCN2CC[C@@H](CCC(O)c3ccnc4ccc(OC)cc34)[C@@H](C(=O)O)C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.69

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
SCHEMBL7727194 1.00 KCNH2 (0.69) KCNH2
SCHEMBL7725420 0.98 KCNH2 (0.68) KCNH2
SCHEMBL7725426 0.98 KCNH2 (0.68) KCNH2
SCHEMBL7725432 0.98 KCNH2 (0.68) KCNH2
SCHEMBL7728069 0.96 KCNH2 (0.66) KCNH2
SCHEMBL7728078 0.96 KCNH2 (0.66) KCNH2
SCHEMBL7728075 0.96 KCNH2 (0.66) KCNH2
SCHEMBL6608754 0.96 KCNH2 (0.70) KCNH2
SCHEMBL6608743 0.96 KCNH2 (0.70) KCNH2
SCHEMBL6608751 0.96 KCNH2 (0.70) 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