SCHEMBL29664103

SCHEMBL29664103

O=Cc1cnc(OC2CCOCC2)c(C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATXN2 Q99700 6/20 0.45
CNR2 P34972 3/20 0.38
LRRK2 Q5S007 1/20 0.38
PDE10A Q9Y233 2/20 0.37

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
SCHEMBL28736983 1.00 ATXN2 (0.45) ATXN2CNR2LRRK2PDE10A
SCHEMBL28737011 0.92 ATXN2 (0.47) ATXN2CNR2LRRK2
SCHEMBL28737007 0.85 ATXN2 (0.48) ATXN2CNR2PDE10A
SCHEMBL28737062 0.83 ENPP2 (0.42) CNR2LRRK2
SCHEMBL17112461 0.77 ATXN2 (0.57) ATXN2CNR2PDE10A
SCHEMBL25355431 0.77 FDPS (0.35) CNR2
SCHEMBL30454394 0.77 FDPS (0.35) CNR2
SCHEMBL4540518 0.73 HCRTR1 (0.42) CNR2
SCHEMBL28736982 0.73 ATXN2 (0.45) ATXN2CNR2LRRK2
SCHEMBL28820933 0.72 CNR2 (0.44) CNR2

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
CN-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed