SCHEMBL31661895

SCHEMBL31661895

CC(=O)N1CCC(OCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)c(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
CHEK2 O96017 5/20 0.37
MAPK14 Q16539 2/20 0.36
NTRK1 P04629 5/20 0.35
NTRK2 Q16620 4/20 0.35
NTRK3 Q16288 3/20 0.35
KCNH2 Q12809 3/20 0.35
SCN9A Q15858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL31662186 0.95 CHEK2 (0.39) PIK3CDCHEK2MAPK14NTRK1NTRK2
SCHEMBL31662540 0.87 GPR119 (0.43) CHEK2
SCHEMBL31661947 0.86 SCN9A (0.36) MAPK14SCN9AHRH3OPRM1OPRD1
SCHEMBL31662228 0.86 SCN9A (0.39) CHEK2SCN9AOPRM1OPRD1OPRK1
SCHEMBL31661933 0.85 SCN9A (0.39) CHEK2SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662015 0.85 SCN9A (0.36) MAPK14SCN9AOPRM1OPRD1OPRK1
SCHEMBL31661963 0.85 SCN9A (0.36) MAPK14SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662522 0.85 SCN9A (0.36) MAPK14SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662120 0.84 SCN9A (0.36) PIK3CDNTRK1SCN9ANPC1RAB9A
SCHEMBL31662603 0.81 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