SCHEMBL31661931

SCHEMBL31661931

CCN(CC)C(=O)CCOc1ccc(Oc2cc(C(N)=O)cc3cnn(C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PARP10 Q53GL7 1/20 0.35
TBXAS1 P24557 1/20 0.35
TSHR P16473 2/20 0.34
TSPO P30536 1/20 0.34
CHEK2 O96017 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 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
SCHEMBL31662417 0.87 SCN9A (0.41) SCN9APARP10TBXAS1
SCHEMBL31662377 0.84 SCN9A (0.43) SCN9APARP10TBXAS1CHEK2
SCHEMBL31662222 0.83 TBXAS1 (0.43) SCN9ATBXAS1LMNA
SCHEMBL31662189 0.82 SCN9A (0.37) SCN9ACCNCCDK8TSHRTSPO
SCHEMBL31661942 0.80 GAA (0.51) SCN9ATSHRNPC1LMNAGAA
SCHEMBL31662580 0.79 PARP10 (0.46) SCN9ACCNCCDK8PARP10CHEK2
SCHEMBL31662144 0.79 PARP15 (0.51) SCN9APARP10CHEK2
SCHEMBL31662175 0.78 HRH3 (0.47) LMNAMAPK1GAA
SCHEMBL31662018 0.78 SCN9A (0.39) SCN9ACCNCCDK8TBXAS1CHEK2
SCHEMBL31662035 0.78 SCN9A (0.39) SCN9ACHEK2NPC1

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