SCHEMBL31662228

SCHEMBL31662228

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCNCC4)cc3F)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.39
CHEK2 O96017 3/20 0.36
KDM1A O60341 1/20 0.36
MAPK8 P45983 1/20 0.34
CTSS P25774 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
CD38 P28907 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
SCHEMBL31661933 0.95 SCN9A (0.39) SCN9ACHEK2KDM1AMAPK8CTSS
SCHEMBL31661947 0.90 SCN9A (0.36) SCN9AMAPK8OPRM1OPRD1OPRK1
SCHEMBL31661975 0.90 CHEK2 (0.41) SCN9ACHEK2KDM1AJAK2JAK1
SCHEMBL31662186 0.89 CHEK2 (0.39) SCN9ACHEK2OPRM1OPRD1OPRK1
SCHEMBL31662522 0.87 SCN9A (0.36) SCN9AMAPK8OPRM1OPRD1OPRK1
SCHEMBL31662015 0.87 SCN9A (0.36) SCN9AMAPK8OPRM1OPRD1OPRK1
SCHEMBL31661963 0.87 SCN9A (0.36) SCN9AMAPK8OPRM1OPRD1OPRK1
SCHEMBL31661895 0.86 PIK3CD (0.39) SCN9ACHEK2OPRM1OPRD1OPRK1
SCHEMBL31662540 0.86 GPR119 (0.43) CHEK2
SCHEMBL31662603 0.84 SCN9A (0.38) SCN9AOPRM1OPRD1OPRK1

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