SCHEMBL31662025

SCHEMBL31662025

CN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)c(F)c2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HTR3A P46098 2/20 0.36
ATF4 P18848 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
GRM2 Q14416 1/20 0.35
SCN9A Q15858 5/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 2/20 0.34
CHEK2 O96017 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
SCHEMBL31661967 0.90 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31661921 0.90 TLR7 (0.42) HTR3AATF4HRH3
SCHEMBL31662603 0.84 SCN9A (0.38) SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662003 0.83 HRH3 (0.38) HTR3AATF4HRH3SCN9A
SCHEMBL31662181 0.83 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662068 0.83 CYP11B2 (0.36) HTR3AHRH3SCN9A
SCHEMBL31662138 0.82 DRD4 (0.43) HRH3
SCHEMBL31662381 0.82 SCN9A (0.37) SCN9A
SCHEMBL31661971 0.80 SCN9A (0.36) HRH3SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662226 0.79 GAA (0.45) HRH3

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