SCHEMBL7731222

SCHEMBL7731222

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ncccn4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56

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
SCHEMBL7731970 0.96 KCNH2 (0.60) KCNH2
SCHEMBL7726797 0.93 KCNH2 (0.54) KCNH2
SCHEMBL7729157 0.92 KCNH2 (0.56) KCNH2
SCHEMBL7725934 0.92 KCNH2 (0.55) KCNH2
SCHEMBL7724166 0.91 KCNH2 (0.54) KCNH2
SCHEMBL7727834 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7723984 0.91 KCNH2 (0.55) KCNH2
SCHEMBL7727219 0.90 KCNH2 (0.46) KCNH2
SCHEMBL7727222 0.90 KCNH2 (0.46) KCNH2
SCHEMBL7728125 0.90 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