SCHEMBL23620145

SCHEMBL23620145

CC(C)c1ccnc(OC2CCC2)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.46
IRAK4 Q9NWZ3 1/20 0.35
ACACB O00763 3/20 0.34
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
JAK3 P52333 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL23620142 0.94 LRRK2 (0.38) LRRK2IRAK4HCRTR1HCRTR2
SCHEMBL23620095 0.84 LRRK2 (0.49) LRRK2IRAK4ACACBLOXLOXL2
SCHEMBL25144094 0.81 LRRK2 (0.43) LRRK2IRAK4ACACBLOXLOXL2
SCHEMBL25144091 0.78 LRRK2 (0.46) LRRK2ACACBLOXLOXL2JAK3
SCHEMBL24713380 0.78 LRRK2 (0.41) LRRK2
SCHEMBL24224724 0.76 LRRK2 (0.43) LRRK2ALOX5APFEN1JAK3CYP19A1
SCHEMBL26505588 0.75 LRRK2 (0.45) LRRK2ALOX5APFEN1JAK3CYP19A1
SCHEMBL23620231 0.74 CCNB2 (0.36) LRRK2
SCHEMBL24713250 0.74 LRRK2 (0.36) LRRK2ACACBALOX5APFEN1
SCHEMBL24713323 0.73 LRRK2 (0.35) LRRK2

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-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed