SCHEMBL7730185

SCHEMBL7730185

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.46
KCNH2 Q12809 7/20 0.44
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7730186 1.00 CCR8 (0.46) CCR8KCNH2HTR1ASLC6A4MTNR1A
SCHEMBL7728447 0.98 CCR8 (0.45) CCR8KCNH2HTR1ASLC6A4MTNR1A
SCHEMBL7728450 0.98 CCR8 (0.45) CCR8KCNH2HTR1ASLC6A4MTNR1A
SCHEMBL7726249 0.94 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7726246 0.94 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7721093 0.94 CCR8 (0.46) CCR8KCNH2HTR1ASLC6A4
SCHEMBL7724893 0.93 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7724897 0.93 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725687 0.92 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725691 0.92 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B

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