SCHEMBL31661875

SCHEMBL31661875

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCNCC4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
KDM1A O60341 1/20 0.38
CHEK2 O96017 2/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.35
SYK P43405 2/20 0.34
ROCK2 O75116 1/20 0.34
HAO1 Q9UJM8 2/20 0.34
CTSS P25774 2/20 0.34
DHODH Q02127 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
SCHEMBL31662113 0.94 SCN9A (0.39) SCN9AIRAK4SYKROCK2HAO1
SCHEMBL31662354 0.91 SCN9A (0.38) SCN9AKDM1AIRAK4SYKROCK2
SCHEMBL31661960 0.90 SCN1A (0.37) SCN9ACHEK2SYKROCK2
SCHEMBL31662165 0.89 IRAK4 (0.37) SCN9AIRAK4SYKROCK2
SCHEMBL31661999 0.89 SCN9A (0.36) SCN9AIRAK4SYKROCK2HAO1
SCHEMBL31662071 0.89 SCN9A (0.38) SCN9AKDM1AIRAK4SYKROCK2
SCHEMBL31661986 0.88 CHEK2 (0.40) SCN9ACHEK2IRAK4
SCHEMBL31662101 0.87 MAPT (0.38) SCN9AKDM1A
SCHEMBL31662133 0.87 OPRK1 (0.38) SCN9ASYKROCK2
SCHEMBL31662162 0.86 IRAK4 (0.37) SCN9AIRAK4SYKROCK2

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