SCHEMBL6916617

SCHEMBL6916617

CCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.83
SRPK3 Q9UPE1 1/20 0.61
SGMS2 Q8NHU3 2/20 0.54

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
SCHEMBL1648915 0.93 LRRK2 (0.82) LRRK2SRPK3SGMS2
SCHEMBL1647667 0.91 LRRK2 (1.00) LRRK2SRPK3SGMS2
SCHEMBL29857044 0.88 LRRK2 (0.76) LRRK2SRPK3SGMS2
SCHEMBL6918063 0.88 LRRK2 (0.76) LRRK2SRPK3SGMS2
SCHEMBL1647406 0.84 LRRK2 (0.83) LRRK2SRPK3SGMS2
SCHEMBL1649501 0.83 LRRK2 (0.85) LRRK2SRPK3SGMS2
SCHEMBL6918884 0.83 LRRK2 (1.00) LRRK2SGMS2
SCHEMBL6918296 0.83 LRRK2 (0.84) LRRK2SRPK3SGMS2
SCHEMBL1649291 0.81 LRRK2 (1.00) LRRK2SRPK3SGMS2
SCHEMBL6918280 0.80 LRRK2 (0.80) LRRK2SRPK3SGMS2

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