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SCHEMBL31662072

SCHEMBL31662072

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.39
▸ CD38 P28907 1/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ CHEK2 O96017 2/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL31661893 0.95 SCN9A (0.38) SCN9ACD38PDE4DHRH3
SCHEMBL31662085 0.95 SCN9A (0.38) SCN9ACD38PDE4DHRH3
SCHEMBL31662578 0.92 CD38 (0.37) SCN9ACD38PDE4DHRH3MAPK14
SCHEMBL31662235 0.91 CD38 (0.39) SCN9ACD38PDE4DHRH3MAPK14
SCHEMBL31662620 0.90 CD38 (0.40) CD38PDE4DHRH3MAPK14
SCHEMBL31662035 0.90 SCN9A (0.39) SCN9ACD38HRH3CHEK2
SCHEMBL31661947 0.90 SCN9A (0.36) SCN9ACD38PDE4DHRH3MAPK14
SCHEMBL31662176 0.90 SCN9A (0.39) SCN9ACD38PDE4DHRH3CHEK2
SCHEMBL31661990 0.90 SCN9A (0.41) SCN9ACD38PDE4DCHEK2
SCHEMBL31662160 0.90 SCN9A (0.36) SCN9ACD38PDE4D

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