SCHEMBL31661950

SCHEMBL31661950

CC(=O)N1CCN(CCCOc2ccc(Oc3cc(-c4nnco4)cc4cncn34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
DRD3 P35462 1/20 0.41
HRH2 P25021 8/20 0.40
HRH1 P35367 8/20 0.40
HRH3 Q9Y5N1 5/20 0.39
GAA P10253 3/20 0.39
PKM P14618 3/20 0.39
EPHX2 P34913 1/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31662012 0.85 PRKAB2 (0.40) HRH2HRH1HRH3GAAPKM
SCHEMBL31662252 0.82 TLR8 (0.38) GAAPKMLMNAMAPK1HTT
SCHEMBL31662250 0.81 HRH3 (0.46) CYP4F2CYP4A11DRD3HRH2HRH1
SCHEMBL31661851 0.78 TLR8 (0.32) HRH3LMNAHTT
SCHEMBL31662163 0.75 SMN1; SMN2 (0.34) GAAPKMLMNAMAPK1HTT
SCHEMBL31661961 0.72 PRKAB2 (0.38) HRH2HRH1HRH3MAPK1
SCHEMBL31662137 0.69 HRH2 (0.42) CYP4F2CYP4A11DRD3HRH2HRH1
SCHEMBL31662074 0.68 CYP2D6 (0.36)
SCHEMBL10200150 0.67 DRD3 (0.68) CYP4F2CYP4A11DRD3HRH2HRH1
SCHEMBL31662204 0.66 CYP2D6 (0.36)

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