SCHEMBL31662008

SCHEMBL31662008

Cn1ncc2cc(-n3ccnc3)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.46
CYP1A2 P05177 5/20 0.44
CYP2D6 P10635 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP19A1 P11511 1/20 0.39
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL31662457 0.82 CD38 (0.34) CD38CYP1A2HRH3
SCHEMBL31662230 0.82 CD38 (0.34) CD38CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31662202 0.80 GSK3B (0.36) CD38CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31662578 0.79 CD38 (0.37) CD38HRH3
SCHEMBL31662231 0.78 ATM (0.38) CD38
SCHEMBL31662072 0.78 SCN9A (0.39) CD38HRH3
SCHEMBL31661923 0.78 TTK (0.38) CD38
SCHEMBL31662620 0.78 CD38 (0.40) CD38HRH3
SCHEMBL31662289 0.77 CD38 (0.32) CD38
SCHEMBL31662235 0.77 CD38 (0.39) CD38HRH3

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