SCHEMBL31662086

SCHEMBL31662086

CON(C)C(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
SCN9A Q15858 3/20 0.33
CD38 P28907 1/20 0.33
HRH3 Q9Y5N1 4/20 0.33
MAPK1 P28482 1/20 0.32
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
HTR6 P50406 1/20 0.31
MAPK14 Q16539 1/20 0.31
DRD4 P21917 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDE4B Q07343 1/20 0.31
CHRM1 P11229 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
HAO1 Q9UJM8 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
SCHEMBL31662770 0.88 CD38 (0.36) LRRK2SCN9ACD38MAPK1MAPK14
SCHEMBL31661945 0.88 LRRK2 (0.36) LRRK2SCN9ACD38HRH3MAPK1
SCHEMBL31662428 0.88 DHODH (0.37) LRRK2CD38HRH3MAPK1MAPK14
SCHEMBL31662165 0.87 IRAK4 (0.37) LRRK2SCN9ACD38
SCHEMBL31661929 0.83 IRAK4 (0.37) LRRK2SCN9AHRH3
SCHEMBL31662279 0.82 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31662135 0.82 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31662162 0.82 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31661957 0.82 IRAK4 (0.36) LRRK2SCN9ACD38MAPK1PDE4B
SCHEMBL31662113 0.81 SCN9A (0.39) SCN9ACD38DRD4TMEM97SIGMAR1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed