SCHEMBL31662232

SCHEMBL31662232

COCC(=O)N1[C@@H]2CC[C@H]1CC(OCCOc1ccc(Oc3cc4c(cnn4C)cc3C(N)=O)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.34
SYK P43405 4/20 0.32
ROCK2 O75116 1/20 0.32
PDE1C Q14123 3/20 0.31
CD38 P28907 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
JAK2 O60674 2/20 0.31
NTRK1 P04629 1/20 0.31
AXL P30530 1/20 0.30
BTK Q06187 1/20 0.30
KDM1A O60341 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL31662152 0.90 SCN9A (0.35) SCN9ASYKROCK2TRPC6OPRM1
SCHEMBL31662133 0.89 OPRK1 (0.38) SCN9ASYKROCK2OPRM1OPRK1
SCHEMBL31661890 0.87 NTRK1 (0.37) SCN9ASYKJAK2NTRK1KDM1A
SCHEMBL31661904 0.87 CCNC (0.34) SCN9ASYKROCK2PDE1CJAK2
SCHEMBL31662113 0.86 SCN9A (0.39) SCN9ASYKROCK2CD38
SCHEMBL31662071 0.84 SCN9A (0.38) SCN9ASYKROCK2PDE1CJAK2
SCHEMBL31662124 0.84 SCN9A (0.36) SCN9ASYKROCK2
SCHEMBL31661960 0.83 SCN1A (0.37) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31661875 0.82 SCN9A (0.40) SCN9ASYKROCK2KDM1A
SCHEMBL31662354 0.82 SCN9A (0.38) SCN9ASYKROCK2PDE1CJAK2

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