SCHEMBL29197161

SCHEMBL29197161

CC1(C)OB(c2cnc(N3CCCC(F)C3)cn2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL24894886 1.00 LRRK2 (0.34) LRRK2CHRM3PDE4APDE4BPDE4C
SCHEMBL30141576 0.94 LRRK2 (0.31) LRRK2
SCHEMBL29197189 0.94 LRRK2 (0.31) LRRK2
SCHEMBL25473799 0.94 LRRK2 (0.31) LRRK2
SCHEMBL24894908 0.86 MAPT (0.32) HRH3
SCHEMBL12731410 0.83 MAPT (0.36)
SCHEMBL19867589 0.78 MAPT (0.43) HRH3
SCHEMBL24894999 0.78 LRRK2 (0.35) LRRK2CHRM3PDE4APDE4BPDE4C
SCHEMBL31153309 0.78 LRRK2 (0.35) LRRK2CHRM3PDE4APDE4BPDE4C
SCHEMBL29197145 0.78 LRRK2 (0.35) LRRK2CHRM3PDE4APDE4BPDE4C

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-117940435-A Novel compounds for diagnosing TDP-43 proteinopathies AC免疫有限公司 2024-04-26 CN disclosed