SCHEMBL31725504

SCHEMBL31725504

CC1(Nc2ncc(C(F)(F)F)c(Cl)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
LRRK2 Q5S007 11/20 0.36
CYP1A2 P05177 2/20 0.36
ULK1 O75385 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RPS6KA5 O75582 1/20 0.33
LATS1 O95835 2/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
AR P10275 2/20 0.32
LATS2 Q9NRM7 1/20 0.32

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
SCHEMBL31725488 0.82 AURKA (0.47) LRRK2ULK1HDAC3HDAC1HDAC2
SCHEMBL12149236 0.80 LRRK2 (0.47) TRPV1LRRK2CYP1A2ULK1
SCHEMBL27228448 0.76 GAA (0.40) TRPV1LRRK2CYP1A2ULK1RPS6KA5
SCHEMBL21374216 0.73 XPO1 (0.40) TRPV1LRRK2CYP1A2ULK1
SCHEMBL11916180 0.73 LRRK2 (0.42) TRPV1LRRK2CYP1A2
SCHEMBL29141596 0.72 CCNK (0.60) ULK1
SCHEMBL29141599 0.72 CCNK (0.60) ULK1
SCHEMBL30772306 0.72 CCNK (0.60) ULK1
SCHEMBL13323758 0.70 TRPV1 (0.39) TRPV1LRRK2CYP1A2ULK1HDAC3
SCHEMBL22997711 0.70 TRPV1 (0.37) TRPV1LRRK2CYP1A2HDAC1HDAC6

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-2025235687-A1 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2025-11-13 WO disclosed