SCHEMBL4722645

SCHEMBL4722645

COc1ccc2nccc([C@@H]3COC(=O)N3CCCNCc3cc4ccccc4[nH]3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 14/20 0.72
KCNH2 Q12809 2/20 0.52
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
SLC2A1 P11166 2/20 0.38

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
SCHEMBL4722649 1.00 CCR8 (0.72) CCR8KCNH2DRD2DRD3SLC2A1
SCHEMBL3930467 0.84 CCR8 (1.00) CCR8KCNH2
SCHEMBL3930474 0.84 CCR8 (1.00) CCR8KCNH2
SCHEMBL3919790 0.71 CCR8 (1.00) CCR8KCNH2
SCHEMBL3919797 0.71 CCR8 (1.00) CCR8KCNH2
SCHEMBL4721447 0.69 CCR8 (0.74) CCR8KCNH2DRD2DRD3
SCHEMBL3177394 0.68 CCR8 (1.00) CCR8KCNH2
SCHEMBL29422855 0.68 CCR8 (1.00) CCR8KCNH2
SCHEMBL3930454 0.68 CCR8 (0.72) CCR8KCNH2
SCHEMBL3930460 0.68 CCR8 (0.72) 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