SCHEMBL3921709

SCHEMBL3921709

COc1ccc2nccc([C@@H]3CN(CCCNCc4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.63
KCNH2 Q12809 4/20 0.44

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
SCHEMBL3919647 0.88 CCR8 (0.67) CCR8KCNH2
SCHEMBL3919654 0.88 CCR8 (0.67) CCR8KCNH2
Hydrochloric Acid SCHEMBL3923840 0.87 CCR8 (0.66) CCR8KCNH2
SCHEMBL3923091 0.87 CCR8 (0.62) CCR8KCNH2
Hydrochloric Acid SCHEMBL3923830 0.87 CCR8 (0.66) CCR8KCNH2
SCHEMBL4720202 0.86 CCR8 (0.54) CCR8KCNH2
SCHEMBL3920902 0.85 CCR8 (0.66) CCR8KCNH2
SCHEMBL3920275 0.79 CCR8 (0.68) CCR8KCNH2
SCHEMBL3920279 0.79 CCR8 (0.68) CCR8KCNH2
SCHEMBL3921717 0.79 CCR8 (0.58) 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