SCHEMBL31662291

SCHEMBL31662291

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCN(C(=O)CO)CC4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.38
KCNH2 Q12809 5/20 0.38
NTRK2 Q16620 4/20 0.38
KDM1A O60341 1/20 0.37
NTRK3 Q16288 3/20 0.36
TBK1 Q9UHD2 4/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
SCN9A Q15858 1/20 0.35
DRD4 P21917 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL31661890 0.94 NTRK1 (0.37) NTRK1KCNH2NTRK2KDM1ANTRK3
SCHEMBL31661864 0.92 SCN9A (0.34) NTRK1KCNH2NTRK2KDM1ASCN9A
SCHEMBL31661986 0.92 CHEK2 (0.40) NTRK1KCNH2NTRK2NTRK3SCN9A
SCHEMBL31662101 0.91 MAPT (0.38) NTRK1KCNH2NTRK2KDM1ASCN9A
SCHEMBL31661960 0.91 SCN1A (0.37) SCN9ADRD4SIGMAR1TMEM97ALDH1A1
SCHEMBL31662113 0.90 SCN9A (0.39) SCN9ADRD4SIGMAR1TMEM97IRAK4
SCHEMBL31662561 0.88 CHEK2 (0.44)
SCHEMBL31661875 0.86 SCN9A (0.40) KDM1ASCN9AIRAK4
SCHEMBL31662165 0.86 IRAK4 (0.37) NTRK1TBK1SCN9AIRAK4
SCHEMBL31661999 0.85 SCN9A (0.36) SCN9ADRD4SIGMAR1TMEM97IRAK4

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