SCHEMBL31662052

SCHEMBL31662052

CN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.38
IKBKB O14920 5/20 0.35
HTR3A P46098 3/20 0.35
CHEK2 O96017 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MCL1 Q07820 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
SCHEMBL31662190 0.89 SMN1; SMN2 (0.42) SCN9AHTR3ACHEK2
SCHEMBL31662096 0.86 PRKAB2 (0.42) SCN9AHTR3ACHEK2HRH3
SCHEMBL31662002 0.86 SCN9A (0.37) SCN9AHTR3ACHEK2HRH3MCL1
SCHEMBL31661967 0.84 PRKAB2 (0.41) SCN9AIKBKBHTR3ACHEK2HRH3
SCHEMBL31662167 0.84 SCN9A (0.38) SCN9AHTR3ACHEK2
SCHEMBL31662062 0.84 CCNC (0.47) SCN9A
SCHEMBL31662018 0.83 SCN9A (0.39) SCN9AHTR3ACHEK2
SCHEMBL31662377 0.82 SCN9A (0.43) SCN9ACHEK2HRH3MCL1
SCHEMBL31662175 0.81 HRH3 (0.47) HRH3
SCHEMBL31662417 0.80 SCN9A (0.41) SCN9AMCL1

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