SCHEMBL4718802

SCHEMBL4718802

COc1cccc2c([C@@H]3CN(CCCN(C)Cc4cc5ccccc5[nH]4)C(=O)O3)ccnc12

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.74
KCNH2 Q12809 1/20 0.45
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1B P35368 3/20 0.34
PARP1 P09874 1/20 0.34
DRD4 P21917 1/20 0.33

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
SCHEMBL4721447 0.87 CCR8 (0.74) CCR8KCNH2HCRTR1HCRTR2ADRA1B
SCHEMBL3919797 0.85 CCR8 (1.00) CCR8KCNH2
SCHEMBL3919790 0.85 CCR8 (1.00) CCR8KCNH2
SCHEMBL4718696 0.81 CCR8 (0.53) CCR8KCNH2ADRA1B
SCHEMBL4716924 0.74 CCR8 (0.53) CCR8KCNH2ADRA1B
SCHEMBL3930474 0.72 CCR8 (1.00) CCR8KCNH2
SCHEMBL3930467 0.72 CCR8 (1.00) CCR8KCNH2
SCHEMBL4721450 0.72 CCR8 (0.53) CCR8KCNH2ADRA1B
SCHEMBL3923700 0.70 CCR8 (0.69) CCR8KCNH2
SCHEMBL3923708 0.70 CCR8 (0.69) 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