SCHEMBL31661967

SCHEMBL31661967

CN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HTR3A P46098 2/20 0.39
HRH3 Q9Y5N1 10/20 0.38
CHEK2 O96017 1/20 0.38
SCN9A Q15858 1/20 0.38
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
IKBKB O14920 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL31662025 0.90 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31661968 0.88 HRH3 (0.44) HTR3AHRH3CHEK2SCN9AHRH2
SCHEMBL31662564 0.87 HRH2 (0.39) HTR3AHRH3CHEK2SCN9AHRH2
SCHEMBL31662175 0.85 HRH3 (0.47) HRH3OPRM1OPRD1OPRK1
SCHEMBL31662052 0.84 SCN9A (0.38) HTR3AHRH3CHEK2SCN9AIKBKB
SCHEMBL31662190 0.83 SMN1; SMN2 (0.42) HTR3ACHEK2SCN9A
SCHEMBL31662018 0.83 SCN9A (0.39) HTR3ACHEK2SCN9A
SCHEMBL31662377 0.82 SCN9A (0.43) HRH3CHEK2SCN9A
SCHEMBL31662096 0.81 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662417 0.80 SCN9A (0.41) SCN9A

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