SCHEMBL7731986

SCHEMBL7731986

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4ccccc4F)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.47

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
SCHEMBL7727349 0.97 KCNH2 (0.44) KCNH2
SCHEMBL7720491 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7730356 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7730350 0.94 KCNH2 (0.47) KCNH2
SCHEMBL7720883 0.92 KCNH2 (0.46) KCNH2
SCHEMBL7725278 0.92 KCNH2 (0.48) KCNH2
SCHEMBL7725629 0.92 KCNH2 (0.48) KCNH2
SCHEMBL7720856 0.92 KCNH2 (0.48) KCNH2
SCHEMBL7724644 0.92 KCNH2 (0.47) KCNH2
SCHEMBL6606233 0.92 KCNH2 (0.57) 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