SCHEMBL7732062

SCHEMBL7732062

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4Cl)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
CCR8 P51685 1/20 0.44
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 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
SCHEMBL7725482 0.98 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1BHTR1A
SCHEMBL7721147 0.94 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7721248 0.93 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726290 0.93 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1BHTR1A
SCHEMBL7726293 0.93 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1BHTR1A
SCHEMBL7725027 0.92 KCNH2 (0.44) KCNH2CCR8
SCHEMBL7721123 0.92 KCNH2 (0.47) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726989 0.92 CCR8 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7727122 0.92 CCR8 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725846 0.92 CCR8 (0.53) KCNH2CCR8MTNR1AMTNR1B

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