SCHEMBL4716229

SCHEMBL4716229

COc1ccc2nccc([C@@H]3CN(CCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.42
LMNA P02545 1/20 0.40
KCNH2 Q12809 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 1/20 0.36
PKM P14618 3/20 0.36

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
SCHEMBL4716876 0.88 PKM (0.45) CCR8LMNAKCNH2SMN1; SMN2CYP19A1
SCHEMBL4717181 0.87 CCR8 (0.41) CCR8
SCHEMBL4720275 0.87 CCR8 (0.41) CCR8
SCHEMBL4720202 0.87 CCR8 (0.54) CCR8LMNAKCNH2
SCHEMBL3920296 0.81 KCNH2 (0.50) CCR8KCNH2
SCHEMBL3936163 0.76 CCR8 (0.39) CCR8
SCHEMBL4719742 0.75 CCR8 (0.39) CCR8
SCHEMBL4718978 0.75 CCR8 (0.54) CCR8KCNH2
SCHEMBL3930790 0.74 CCR8 (0.49) CCR8KCNH2
SCHEMBL3922158 0.74 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 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