SCHEMBL31662018

SCHEMBL31662018

CN1CCN(CCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.39
CHEK2 O96017 2/20 0.34
TBXAS1 P24557 1/20 0.34
CSF1R P07333 1/20 0.33
HTR3A P46098 2/20 0.33
GCK P35557 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
SCHEMBL31662062 0.86 CCNC (0.47) SCN9ACCNCCDK8
SCHEMBL31662157 0.86 CYP11B2 (0.41) SCN9ACHEK2
SCHEMBL31662052 0.83 SCN9A (0.38) SCN9ACHEK2HTR3A
SCHEMBL31661967 0.83 PRKAB2 (0.41) SCN9ACHEK2HTR3A
SCHEMBL31662377 0.83 SCN9A (0.43) SCN9ACHEK2TBXAS1
SCHEMBL31662190 0.82 SMN1; SMN2 (0.42) SCN9ACHEK2HTR3ACCNCCDK8
SCHEMBL31662222 0.82 TBXAS1 (0.43) SCN9ATBXAS1
SCHEMBL31662417 0.82 SCN9A (0.41) SCN9ATBXAS1
SCHEMBL31662167 0.81 SCN9A (0.38) SCN9ACHEK2HTR3A
SCHEMBL31662175 0.80 HRH3 (0.47)

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