SCHEMBL7726563

SCHEMBL7726563

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccc(F)c4)C[C@@H]3CO)c2c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 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
SCHEMBL6606106 0.96 KCNH2 (0.41) KCNH2
SCHEMBL6606513 0.94 KCNH2 (0.46) KCNH2
SCHEMBL6605608 0.93 KCNH2 (0.44) KCNH2
SCHEMBL6604981 0.92 KCNH2 (0.45) KCNH2
SCHEMBL6605385 0.92 KCNH2 (0.44) KCNH2
SCHEMBL6605821 0.92 KCNH2 (0.48) KCNH2
SCHEMBL6606210 0.92 KCNH2 (0.47) KCNH2
SCHEMBL6608856 0.91 KCNH2 (0.44) KCNH2
SCHEMBL7729030 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7729027 0.91 KCNH2 (0.47) 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