SCHEMBL31662289

SCHEMBL31662289

Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.32
HTR6 P50406 1/20 0.31
MAPK14 Q16539 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL31662230 0.83 CD38 (0.34) CD38HTR6MAPK14LRRK2
SCHEMBL31662457 0.83 CD38 (0.34) CD38HTR6MAPK14LRRK2
SCHEMBL31662231 0.81 ATM (0.38) CD38MAPK14
SCHEMBL31662578 0.80 CD38 (0.37) CD38MAPK14
SCHEMBL31662202 0.79 GSK3B (0.36) CD38HTR6MAPK14LRRK2
SCHEMBL31662072 0.79 SCN9A (0.39) CD38MAPK14
SCHEMBL31662620 0.78 CD38 (0.40) CD38MAPK14LRRK2
SCHEMBL578658 0.78 CA1 (0.41)
SCHEMBL31662235 0.78 CD38 (0.39) CD38MAPK14
SCHEMBL31662008 0.77 CD38 (0.46) CD38

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