SCHEMBL31661958

SCHEMBL31661958

CC(=O)N1CC(OCCOc2ccc(Oc3cc4c(cnn4C)cc3C(N)=O)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
SCN9A Q15858 4/20 0.35
CHEK2 O96017 3/20 0.34
ROCK2 O75116 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SYK P43405 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HAO1 Q9UJM8 2/20 0.33
DRD3 P35462 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL31661864 0.91 SCN9A (0.34) SCN9AROCK2IRAK4SYKCCNC
SCHEMBL31661896 0.91 KDM1A (0.41) SCN9AROCK2SYK
SCHEMBL31661986 0.91 CHEK2 (0.40) SCN9ACHEK2IRAK4CYP11B1CYP11B2
SCHEMBL31662113 0.90 SCN9A (0.39) SCN9AROCK2IRAK4SYKHAO1
SCHEMBL31661904 0.90 CCNC (0.34) SCN9ACHEK2ROCK2IRAK4SYK
SCHEMBL31662354 0.87 SCN9A (0.38) SCN9AROCK2IRAK4SYKHAO1
SCHEMBL31661960 0.86 SCN1A (0.37) SCN9ACHEK2ROCK2SYKDRD3
SCHEMBL31662152 0.86 SCN9A (0.35) LTA4HSCN9ACHEK2ROCK2IRAK4
SCHEMBL31662165 0.86 IRAK4 (0.37) SCN9AROCK2IRAK4SYK
SCHEMBL31661875 0.86 SCN9A (0.40) SCN9ACHEK2ROCK2IRAK4SYK

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