SCHEMBL20182716

SCHEMBL20182716

CC(C)n1cnc(C(F)(I)I)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
ACHE P22303 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
SCHEMBL14375518 0.84 LRRK2 (0.37) LRRK2ACHE
SCHEMBL20182717 0.82 LRRK2 (0.37) LRRK2ACHE
SCHEMBL22038887 0.78 LRRK2 (0.33) LRRK2
SCHEMBL30437993 0.69
SCHEMBL25001285 0.66
SCHEMBL2631872 0.66
SCHEMBL22993213 0.65 ACHE (0.31) ACHE
SCHEMBL23139913 0.65
SCHEMBL8090568 0.64
SCHEMBL21577857 0.64

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-2018091389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-24 WO disclosed