SCHEMBL31662652

SCHEMBL31662652

CC1COCCN1CCCOc1ccc(Oc2cc(C(=O)O)cc3cncn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.43
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
BTK Q06187 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL31662136 0.93 HRH3 (0.42) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662491 0.92 HRH3 (0.42) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662185 0.83 HRH3 (0.37) HRH3SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL31662117 0.74 GRM2 (0.35) HRH3KDM4EALDH1A1
SCHEMBL31662149 0.74 PRKAB2 (0.44) HRH3KDM4EALDH1A1
SCHEMBL31661907 0.72 CPT1A (0.34) HRH3
SCHEMBL31662141 0.72 CPT1A (0.34) HRH3
SCHEMBL31661914 0.72 CPT1A (0.34) HRH3
SCHEMBL31662147 0.72 CYP11B2 (0.39) HRH3
SCHEMBL31662459 0.69 TBXAS1 (0.40) HRH3ALDH1A1

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