SCHEMBL31662035

SCHEMBL31662035

CN1CCC(OCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.39
CHEK2 O96017 4/20 0.39
PTK2 Q05397 1/20 0.37
CD38 P28907 1/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CAMK2D Q13557 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL31662072 0.90 SCN9A (0.39) SCN9ACHEK2CD38HRH3
SCHEMBL31661975 0.90 CHEK2 (0.41) SCN9ACHEK2CD38HRH3
SCHEMBL31662592 0.88 CHEK2 (0.48) CHEK2
SCHEMBL31661893 0.87 SCN9A (0.38) SCN9ACD38HRH3
SCHEMBL31662085 0.87 SCN9A (0.38) SCN9ACD38HRH3
SCHEMBL31661960 0.84 SCN1A (0.37) SCN9ACHEK2RAB9AMAPTSMN1; SMN2
SCHEMBL31662144 0.83 PARP15 (0.51) SCN9ACHEK2
SCHEMBL31662377 0.83 SCN9A (0.43) SCN9ACHEK2HRH3
SCHEMBL31662578 0.82 CD38 (0.37) SCN9ACD38SMN1; SMN2HRH3ALDH1A1
SCHEMBL31662417 0.82 SCN9A (0.41) SCN9A

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