SCHEMBL4718696

SCHEMBL4718696

COc1cccc2c([C@@H]3CN(CCCN(C)Cc4ccc5cc(O)ccc5n4)C(=O)O3)ccnc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.53
ALOX5 P09917 1/20 0.34
KCNH2 Q12809 1/20 0.31
ABCC1 P33527 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31

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
SCHEMBL4721450 0.87 CCR8 (0.53) CCR8ALOX5KCNH2HTR1AADRA1D
SCHEMBL3923700 0.80 CCR8 (0.69) CCR8KCNH2
SCHEMBL4721447 0.69 CCR8 (0.74) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL3919797 0.69 CCR8 (1.00) CCR8KCNH2
SCHEMBL3919790 0.69 CCR8 (1.00) CCR8KCNH2
SCHEMBL4716097 0.69 CCR8 (0.49) CCR8KCNH2
SCHEMBL4716924 0.68 CCR8 (0.53) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL3930004 0.67 CCR8 (0.65) CCR8KCNH2
SCHEMBL3929996 0.67 CCR8 (0.65) CCR8KCNH2
SCHEMBL3922143 0.64 CCR8 (0.62) CCR8KCNH2

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
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP claimed