SCHEMBL31661852

SCHEMBL31661852

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCN4CCCS4(=O)=O)cc3F)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
OPRM1 P35372 1/20 0.34
NTRK1 P04629 2/20 0.33
HTR3A P46098 3/20 0.33
SCN9A Q15858 2/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ROCK2 O75116 4/20 0.32
GPR119 Q8TDV5 1/20 0.32
PARP10 Q53GL7 2/20 0.32
PARP15 Q460N3 1/20 0.32
FPR2 P25090 1/20 0.32
GRM2 Q14416 1/20 0.32
PARP1 P09874 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL31662023 0.83 PDK2 (0.42) PDK2
SCHEMBL31662208 0.83 HPGD (0.42) NTRK1SCN9ADRD4SIGMAR1GPR119
SCHEMBL31661937 0.82 PDE3B (0.39) NTRK1SCN9ADRD4SIGMAR1ROCK2
SCHEMBL31662183 0.82 SCN9A (0.39) PDK2OPRM1NTRK1HTR3ASCN9A
SCHEMBL31662441 0.81 SCN9A (0.37) NTRK1SCN9AROCK2PARP10
SCHEMBL31661868 0.81 PDK2 (0.38) PDK2NTRK1HTR3ASCN9ADRD4
SCHEMBL31662065 0.80 PRKAB2 (0.39) PDK2NTRK1HTR3ADRD4SIGMAR1
SCHEMBL31661880 0.79 AXL (0.36) NTRK1HTR3ASCN9AROCK2PARP10
SCHEMBL31662140 0.79 GAA (0.46) NTRK1DRD4SIGMAR1
SCHEMBL31662130 0.79 PARP1 (0.40) NTRK1SCN9AROCK2PARP1

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