SCHEMBL31662491

SCHEMBL31662491

COC(=O)c1cc(Oc2ccc(OCCCN3CCOCC3C)cc2)n2cncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MTOR P42345 1/20 0.36
BTK Q06187 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL31662652 0.92 HRH3 (0.43) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662136 0.91 HRH3 (0.42) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662185 0.82 HRH3 (0.37) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662277 0.80 MAPT (0.38) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL31662594 0.80 MAPT (0.45) KDM4EALDH1A1
SCHEMBL31662366 0.73 CA1 (0.42) KDM4EALDH1A1HTT
SCHEMBL31662117 0.73 GRM2 (0.35) HRH3KDM4EALDH1A1KMT2A
SCHEMBL31662149 0.73 PRKAB2 (0.44) HRH3KDM4EALDH1A1
SCHEMBL31662321 0.72 ESR2 (0.39) KDM4EALDH1A1HTTKMT2A
SCHEMBL31661914 0.71 CPT1A (0.34) HRH3

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 1 patent. 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 disclosed