SCHEMBL7728751

SCHEMBL7728751

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4cccc(F)c4F)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL7731936 0.98 KCNH2 (0.44) KCNH2
SCHEMBL7725377 0.95 KCNH2 (0.47) KCNH2
SCHEMBL7727414 0.94 KCNH2 (0.44) KCNH2
SCHEMBL7727412 0.94 KCNH2 (0.44) KCNH2
SCHEMBL7729062 0.94 KCNH2 (0.48) KCNH2
SCHEMBL7721123 0.93 KCNH2 (0.47) KCNH2
SCHEMBL7729125 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7729130 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7725693 0.91 KCNH2 (0.48) KCNH2
SCHEMBL7724456 0.91 KCNH2 (0.52) 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