SCHEMBL31661960

SCHEMBL31661960

CN1CCC(OCCOc2ccc(Oc3cc4c(cnn4C)cc3C(N)=O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
NEK2 P51955 2/20 0.37
SCN9A Q15858 1/20 0.37
DRD4 P21917 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ROCK2 O75116 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
TYK2 P29597 1/20 0.36
PLK1 P53350 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHEK2 O96017 1/20 0.35
SYK P43405 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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) SCN9ADRD4SIGMAR1TMEM97ROCK2
SCHEMBL31661986 0.92 CHEK2 (0.40) SCN9ADRD4SIGMAR1TMEM97JAK2
SCHEMBL31662101 0.91 MAPT (0.38) SCN9ADRD4SIGMAR1TMEM97RAB9A
SCHEMBL31661999 0.91 SCN9A (0.36) SCN9ADRD4SIGMAR1TMEM97ROCK2
SCHEMBL31662291 0.91 NTRK1 (0.38) SCN9ADRD4SIGMAR1TMEM97RAB9A
SCHEMBL31662165 0.90 IRAK4 (0.37) SCN9AROCK2JAK2JAK1JAK3
SCHEMBL31661875 0.90 SCN9A (0.40) SCN9AROCK2CHEK2SYK
SCHEMBL31661890 0.89 NTRK1 (0.37) SCN9AJAK2JAK1JAK3MAPT
SCHEMBL31662354 0.88 SCN9A (0.38) SCN9AROCK2JAK2JAK1JAK3
SCHEMBL31662133 0.88 OPRK1 (0.38) SCN9AROCK2SYK

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