SCHEMBL3927697

SCHEMBL3927697

COc1ccc2nccc([C@@H]3CN(CC(C)(C)CN)C(=O)O3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 20/20 0.48
KCNH2 Q12809 2/20 0.34

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
SCHEMBL3927695 0.87 CCR8 (0.47) CCR8KCNH2
SCHEMBL3930790 0.85 CCR8 (0.49) CCR8KCNH2
SCHEMBL3918417 0.85 CCR8 (0.49) CCR8KCNH2
SCHEMBL3922158 0.85 CCR8 (0.49) CCR8KCNH2
SCHEMBL3919776 0.82 CCR8 (0.48) CCR8KCNH2
SCHEMBL3929587 0.82 CCR8 (0.48) CCR8KCNH2
SCHEMBL3922494 0.82 CCR8 (0.48) CCR8KCNH2
SCHEMBL3930784 0.82 CCR8 (0.49) CCR8KCNH2
SCHEMBL3918413 0.82 CCR8 (0.49) CCR8KCNH2
SCHEMBL3922150 0.82 CCR8 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US claimed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP claimed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed