SCHEMBL31662770

SCHEMBL31662770

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
PDE1C Q14123 2/20 0.36
LRRK2 Q5S007 1/20 0.35
SCN9A Q15858 2/20 0.35
MAPK1 P28482 1/20 0.35
PDE4B Q07343 1/20 0.34
MAPK14 Q16539 2/20 0.34
RORC P51449 1/20 0.34
OPRK1 P41145 2/20 0.34
CHRM1 P11229 1/20 0.34
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPT P10636 1/20 0.33
P2RX3 P56373 1/20 0.33
CNR2 P34972 1/20 0.33
HIPK4 Q8NE63 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 0.91 DHODH (0.37) CD38LRRK2MAPK1MAPK14CHRM1
SCHEMBL31661945 0.91 LRRK2 (0.36) CD38LRRK2SCN9AMAPK1MAPK14
SCHEMBL31662611 0.91 PDE4B (0.36) MAPK1PDE4BRORCOPRK1MAPT
SCHEMBL31662165 0.90 IRAK4 (0.37) CD38LRRK2SCN9A
SCHEMBL31662086 0.88 LRRK2 (0.34) CD38LRRK2SCN9AMAPK1PDE4B
SCHEMBL31661929 0.86 IRAK4 (0.37) LRRK2SCN9A
SCHEMBL31662279 0.85 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31662135 0.85 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31662162 0.85 IRAK4 (0.37) LRRK2SCN9AMAPK1CHRM1
SCHEMBL31662113 0.83 SCN9A (0.39) CD38SCN9A

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