SCHEMBL7724914

SCHEMBL7724914

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4cccc(F)c4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44

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
SCHEMBL6606210 0.97 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL7721891 0.96 KCNH2 (0.47) KCNH2
SCHEMBL7730245 0.94 KCNH2 (0.45) KCNH2
SCHEMBL7732124 0.94 KCNH2 (0.43) KCNH2
SCHEMBL7732127 0.94 KCNH2 (0.43) KCNH2
SCHEMBL7728018 0.93 KCNH2 (0.46) KCNH2
SCHEMBL7726830 0.93 KCNH2 (0.44) KCNH2
SCHEMBL7725353 0.92 KCNH2 (0.43) KCNH2
SCHEMBL7729197 0.92 KCNH2 (0.44) KCNH2
SCHEMBL7731385 0.92 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