SCHEMBL31661972

SCHEMBL31661972

NC(=O)c1cc(Oc2ccc(OCCCN3CCOCC3=O)cc2F)n2cncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PDK2 Q15119 1/20 0.37
AOC2 O75106 1/20 0.36
MAPK14 Q16539 2/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CYP11B2 P19099 3/20 0.32
MIF P14174 1/20 0.32
GRM2 Q14416 1/20 0.32
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KLKB1 P03952 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL31662149 0.90 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662170 0.89 CYP11B2 (0.38) PDK2MAPK14OPRM1OPRD1OPRK1
SCHEMBL31661915 0.88 CCNC (0.41) PDK2
SCHEMBL31661946 0.86 HRH3 (0.32) OPRM1OPRD1OPRK1CYP11B2GRM2
SCHEMBL31662132 0.80 CPT2 (0.32) OPRM1OPRD1OPRK1CYP11B2IL6
SCHEMBL31662644 0.79 PPARG (0.33) GRM2HRH3
SCHEMBL31662181 0.79 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662147 0.78 CYP11B2 (0.39) PDK2OPRM1OPRD1OPRK1CYP11B2
SCHEMBL31661860 0.77 POLB (0.42) PDK2OPRM1OPRD1HRH3
SCHEMBL31661965 0.76 SCN9A (0.39) PDK2OPRM1HRH3

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