SCHEMBL23620142

SCHEMBL23620142

CC(C)c1ccnc(OC2CC2)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PDE10A Q9Y233 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL23620145 0.94 LRRK2 (0.46) LRRK2HCRTR1HCRTR2IRAK4
SCHEMBL24713380 0.83 LRRK2 (0.41) LRRK2HTR1AADRA2AADRA2BADRA2C
SCHEMBL24713250 0.80 LRRK2 (0.36) LRRK2HTR1AADRA2AADRA2BADRA2C
SCHEMBL24713323 0.78 LRRK2 (0.35) LRRK2HTR1AADRA2AADRA2BADRA2C
SCHEMBL22041240 0.78 PDE10A (0.39) LRRK2HCRTR2HTR1AADRA2AADRA2B
SCHEMBL23620095 0.78 LRRK2 (0.49) LRRK2IRAK4
SCHEMBL23620231 0.77 CCNB2 (0.36) LRRK2
SCHEMBL25144091 0.74 LRRK2 (0.46) LRRK2AXLTYRO3MERTK
SCHEMBL25144094 0.74 LRRK2 (0.43) LRRK2HCRTR1HCRTR2IRAK4
SCHEMBL24713234 0.72 TRPV4 (0.38) 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