SCHEMBL31661945

SCHEMBL31661945

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD4 P21917 4/20 0.34
CD38 P28907 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
MAPK14 Q16539 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CHRM1 P11229 1/20 0.33
HAO1 Q9UJM8 2/20 0.33
SCN9A Q15858 2/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL31662428 0.93 DHODH (0.37) LRRK2KDM4EDRD4CD38SIGMAR1
SCHEMBL31662165 0.92 IRAK4 (0.37) LRRK2CD38SCN9A
SCHEMBL31662770 0.91 CD38 (0.36) LRRK2CD38MAPK14HIPK4CHRM1
SCHEMBL31662086 0.88 LRRK2 (0.34) LRRK2DRD4CD38SIGMAR1MAPK14
SCHEMBL31661929 0.88 IRAK4 (0.37) LRRK2HRH3SCN9AHTR3A
SCHEMBL31662279 0.87 IRAK4 (0.37) LRRK2CHRM1SCN9AMAPK1
SCHEMBL31662162 0.87 IRAK4 (0.37) LRRK2CHRM1SCN9AMAPK1
SCHEMBL31662135 0.87 IRAK4 (0.37) LRRK2CHRM1SCN9AMAPK1
SCHEMBL31661957 0.86 IRAK4 (0.36) LRRK2CD38SCN9AMAPK1
SCHEMBL31662113 0.85 SCN9A (0.39) DRD4CD38SIGMAR1TMEM97HAO1

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