SCHEMBL7728893

SCHEMBL7728893

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccc(Cl)c4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.47
CCR8 P51685 1/20 0.40

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
SCHEMBL7729197 0.97 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7727640 0.94 KCNH2 (0.49) KCNH2
SCHEMBL7727538 0.94 KCNH2 (0.47) KCNH2CCR8
SCHEMBL7727539 0.94 KCNH2 (0.47) KCNH2CCR8
SCHEMBL7732013 0.93 KCNH2 (0.50) KCNH2CCR8
SCHEMBL7727235 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7727158 0.92 KCNH2 (0.47) KCNH2CCR8
SCHEMBL6606210 0.92 KCNH2 (0.47) KCNH2
SCHEMBL7725738 0.92 KCNH2 (0.56) KCNH2
SCHEMBL6608856 0.92 KCNH2 (0.44) KCNH2CCR8

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