SCHEMBL31661856

SCHEMBL31661856

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CC5CC(C4)O5)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SCN9A Q15858 5/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
SYK P43405 3/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
PRMT5 O14744 2/20 0.32
HAO1 Q9UJM8 2/20 0.32
DRD4 P21917 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL31661918 0.89 GPR119 (0.34) GAAHPGDSMN1; SMN2PRMT5
SCHEMBL31661959 0.86 GAA (0.52) GAAHPGDSMN1; SMN2
SCHEMBL31661966 0.85 HPGD (0.39) GAASCN9AHPGDSMN1; SMN2KMT2A
SCHEMBL31662174 0.84 TRPC6 (0.34) GAASCN9AROCK2SYKIRAK4
SCHEMBL31662124 0.83 SCN9A (0.36) SCN9AROCK2SYKHAO1
SCHEMBL31662493 0.82 L3MBTL1 (0.41) SCN9ASYKHAO1MCL1
SCHEMBL31661864 0.81 SCN9A (0.34) SCN9AROCK2SYKIRAK4HAO1
SCHEMBL31662453 0.80 MKNK1 (0.39) SCN9AROCK2SYKHAO1MCL1
SCHEMBL31662511 0.79 SYK (0.38) SCN9ASYKHAO1MCL1
SCHEMBL31662113 0.79 SCN9A (0.39) SCN9AROCK2SYKIRAK4HAO1

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