SCHEMBL7730939

SCHEMBL7730939

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4cccc(F)c4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.52

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
SCHEMBL7470545 0.98 KCNH2 (0.52) KCNH2
SCHEMBL7726148 0.94 KCNH2 (0.51) KCNH2
SCHEMBL7724073 0.93 KCNH2 (0.53) KCNH2
SCHEMBL7720626 0.92 KCNH2 (0.49) KCNH2
SCHEMBL7733179 0.92 KCNH2 (0.50) KCNH2
SCHEMBL7722005 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7726903 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7725901 0.91 KCNH2 (0.49) KCNH2
SCHEMBL7726478 0.91 KCNH2 (0.47) KCNH2
SCHEMBL7721112 0.91 KCNH2 (0.46) 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