SCHEMBL31661933

SCHEMBL31661933

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCNC4)cc3F)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.39
REN P00797 2/20 0.34
CTSS P25774 1/20 0.34
CHEK2 O96017 1/20 0.34
KDM1A O60341 1/20 0.34
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
MAPK8 P45983 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL31662228 0.95 SCN9A (0.39) SCN9ACTSSCHEK2KDM1AOPRM1
SCHEMBL31661947 0.87 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1MAPK8
SCHEMBL31662186 0.86 CHEK2 (0.39) SCN9ACHEK2OPRM1OPRD1OPRK1
SCHEMBL31662015 0.86 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1MAPK8
SCHEMBL31662522 0.86 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1MAPK8
SCHEMBL31661963 0.86 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1MAPK8
SCHEMBL31661975 0.85 CHEK2 (0.41) SCN9ARENCHEK2KDM1A
SCHEMBL31661895 0.85 PIK3CD (0.39) SCN9ACHEK2OPRM1OPRD1OPRK1
SCHEMBL31662603 0.82 SCN9A (0.38) SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662381 0.82 SCN9A (0.37) 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