SCHEMBL31661893

SCHEMBL31661893

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCO[C@@H]4CCOC4)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.38
PDE4D Q08499 6/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
HPGDS O60760 1/20 0.33
ATF4 P18848 1/20 0.33
STING1 Q86WV6 1/20 0.33
GCK P35557 1/20 0.33
KCNH2 Q12809 1/20 0.33
CD38 P28907 1/20 0.33
FPR2 P25090 1/20 0.33
ACACB O00763 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
SCHEMBL31662085 1.00 SCN9A (0.38) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL31662072 0.95 SCN9A (0.39) SCN9APDE4DHRH3CD38
SCHEMBL31662015 0.90 SCN9A (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL31661963 0.90 SCN9A (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL31662522 0.90 SCN9A (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL31662035 0.87 SCN9A (0.39) SCN9AHRH3CD38
SCHEMBL31662578 0.87 CD38 (0.37) SCN9APDE4DHRH3HPGDSGCK
SCHEMBL31662235 0.86 CD38 (0.39) SCN9APDE4DHRH3HPGDSGCK
SCHEMBL31661975 0.86 CHEK2 (0.41) SCN9AHRH3CD38
SCHEMBL31662620 0.85 CD38 (0.40) PDE4DHRH3HPGDSCD38

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