SCHEMBL7725928

SCHEMBL7725928

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4nccs4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.51

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
SCHEMBL7729179 0.94 KCNH2 (0.51) KCNH2
SCHEMBL7729174 0.94 KCNH2 (0.51) KCNH2
SCHEMBL7727141 0.91 KCNH2 (0.61) KCNH2
SCHEMBL6604354 0.91 KCNH2 (0.48) KCNH2
Hydrochloric Acid SCHEMBL7725116 0.91 KCNH2 (0.60) KCNH2
SCHEMBL7722017 0.90 KCNH2 (0.50) KCNH2
SCHEMBL7724654 0.90 KCNH2 (0.47) KCNH2
SCHEMBL7724658 0.90 KCNH2 (0.47) KCNH2
SCHEMBL7725430 0.90 KCNH2 (0.49) KCNH2
SCHEMBL6608071 0.90 KCNH2 (0.64) 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