SCHEMBL7721093

SCHEMBL7721093

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4cccc(Cl)c4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.46
KCNH2 Q12809 6/20 0.44
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL7726222 0.98 CCR8 (0.45) CCR8KCNH2HTR1ASLC6A4
SCHEMBL7727043 0.94 CCR8 (0.48) CCR8KCNH2
SCHEMBL7730185 0.94 CCR8 (0.46) CCR8KCNH2HTR1ASLC6A4
SCHEMBL7730186 0.94 CCR8 (0.46) CCR8KCNH2HTR1ASLC6A4
SCHEMBL7725846 0.93 CCR8 (0.53) CCR8KCNH2
SCHEMBL7725441 0.92 CCR8 (0.47) CCR8KCNH2
SCHEMBL7721277 0.92 CCR8 (0.46) CCR8KCNH2HTR1A
SCHEMBL7725606 0.92 KCNH2 (0.48) CCR8KCNH2
SCHEMBL7728450 0.92 CCR8 (0.45) CCR8KCNH2HTR1ASLC6A4
SCHEMBL7728447 0.92 CCR8 (0.45) CCR8KCNH2HTR1ASLC6A4

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