SCHEMBL4716097

SCHEMBL4716097

COc1cccc2c([C@@H]3CN(CCCNCc4ccc5c(n4)NC(=O)CO5)C(=O)O3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.49
KCNH2 Q12809 16/20 0.40
KCNQ1 P51787 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
Hydrochloric Acid SCHEMBL3922435 0.92 CCR8 (0.43) CCR8KCNH2
Hydrochloric Acid SCHEMBL3922431 0.92 CCR8 (0.43) CCR8KCNH2
SCHEMBL4718242 0.90 CCR8 (0.47) CCR8KCNH2KCNQ1CACNA1C
SCHEMBL3925037 0.86 CCR8 (0.52) CCR8KCNH2KCNQ1CACNA1C
SCHEMBL3925031 0.86 CCR8 (0.52) CCR8KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL4716962 0.85 CCR8 (0.52) CCR8KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL4716967 0.85 CCR8 (0.52) CCR8KCNH2KCNQ1CACNA1C
SCHEMBL3919654 0.85 CCR8 (0.67) CCR8KCNH2KCNQ1CACNA1C
SCHEMBL3919647 0.85 CCR8 (0.67) CCR8KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3923830 0.84 CCR8 (0.66) CCR8KCNH2KCNQ1CACNA1C

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