SCHEMBL7720871

SCHEMBL7720871

COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCCSc4cccs4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.92

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
SCHEMBL7720868 1.00 KCNH2 (0.92) KCNH2
SCHEMBL7720875 1.00 KCNH2 (0.92) KCNH2
SCHEMBL5854175 0.96 KCNH2 (1.00) KCNH2
SCHEMBL6323427 0.96 KCNH2 (1.00) KCNH2
SCHEMBL6606141 0.96 KCNH2 (1.00) KCNH2
SCHEMBL5853749 0.96 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL7721165 0.95 KCNH2 (0.99) KCNH2
Hydrochloric Acid SCHEMBL7721167 0.95 KCNH2 (0.99) KCNH2
Hydrochloric Acid SCHEMBL7721162 0.95 KCNH2 (0.99) KCNH2
SCHEMBL7725080 0.93 KCNH2 (0.79) 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