SCHEMBL29197145

SCHEMBL29197145

CC1(C)OB(c2cnc(N3CCCC(F)C3)nc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.35
USP30 Q70CQ3 1/20 0.34
MAP3K12 Q12852 4/20 0.32
AOC3 Q16853 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CHRM3 P20309 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE10A Q9Y233 2/20 0.31
FFAR1 O14842 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ACACB O00763 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL24894999 1.00 LRRK2 (0.35) LRRK2USP30MAP3K12AOC3HRH3
SCHEMBL31153309 1.00 LRRK2 (0.35) LRRK2USP30MAP3K12AOC3HRH3
SCHEMBL24894892 0.93 USP30 (0.36) USP30MAP3K12AOC3PDE10AFFAR1
SCHEMBL29197236 0.93 USP30 (0.36) USP30MAP3K12AOC3PDE10AFFAR1
SCHEMBL23759883 0.93 USP30 (0.36) USP30MAP3K12AOC3PDE10AFFAR1
SCHEMBL30018701 0.86 ADRA1A (0.37) LRRK2USP30
SCHEMBL24894860 0.85 USP30 (0.35) LRRK2USP30MAP3K12AOC3FFAR1
SCHEMBL31217296 0.85 HDAC6 (0.40) LRRK2USP30AOC3FFAR1DGAT2
SCHEMBL23797377 0.82 FFAR1 (0.37) USP30FFAR1LPLLIPG
SCHEMBL2188747 0.82 FFAR1 (0.37) USP30FFAR1LPLLIPG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940435-A Novel compounds for diagnosing TDP-43 proteinopathies AC免疫有限公司 2024-04-26 CN disclosed
WO-2023285661-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS OF TDP-43 PROTEINOPATHIES AC IMMUNE SA (CH) 2023-01-19 WO disclosed