SCHEMBL1647816

SCHEMBL1647816

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.60
MET P08581 2/20 0.54
SGMS2 Q8NHU3 1/20 0.51
SRPK3 Q9UPE1 1/20 0.46

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
SCHEMBL10322501 0.90 LRRK2 (0.64) LRRK2METSGMS2
SCHEMBL10322888 0.90 LRRK2 (0.64) LRRK2METSGMS2
SCHEMBL10322891 0.88 LRRK2 (0.68) LRRK2METSGMS2
SCHEMBL10321935 0.88 LRRK2 (0.68) LRRK2METSGMS2
SCHEMBL2895175 0.78 PRMT5 (0.56)
SCHEMBL4314170 0.78 PRMT5 (0.56)
SCHEMBL4314700 0.78 PRMT5 (0.56)
SCHEMBL1648747 0.78 LRRK2 (0.66) LRRK2METSGMS2
SCHEMBL6917993 0.78 LRRK2 (0.66) LRRK2METSGMS2
SCHEMBL1648751 0.78 LRRK2 (0.66) LRRK2METSGMS2

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
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed