SCHEMBL31662250

SCHEMBL31662250

CC(=O)N1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cncn34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.46
HRH2 P25021 4/20 0.46
HRH1 P35367 4/20 0.46
DRD3 P35462 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
DRD2 P14416 1/20 0.43
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL31662459 0.82 TBXAS1 (0.40) HRH3
SCHEMBL31661950 0.81 CYP4F2 (0.42) HRH3HRH2HRH1DRD3CYP4F2
SCHEMBL31661860 0.80 POLB (0.42) HRH3KDM4E
SCHEMBL31661965 0.80 SCN9A (0.39) HRH3
SCHEMBL31662147 0.80 CYP11B2 (0.39) HRH3
SCHEMBL31662117 0.79 GRM2 (0.35) HRH3KDM4EEPHX2
SCHEMBL31662136 0.79 HRH3 (0.42) HRH3HRH2HRH1
SCHEMBL31662149 0.78 PRKAB2 (0.44) HRH3KDM4E
SCHEMBL31662185 0.77 HRH3 (0.37) HRH3HRH2HRH1
SCHEMBL31662424 0.75 PARP10 (0.48)

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