SCHEMBL31662373

SCHEMBL31662373

CCn1cncc1-c1cc(Oc2ccc(OCCCN3CC4CC3CO4)cc2)c2c(cnn2C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
WNT1 P04628 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
KRAS P01116 2/20 0.32
HTR3A P46098 1/20 0.31
PDE1B Q01064 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL31662212 0.89 KCNH2 (0.34) KCNH2MCHR1TLR7ESR1ESR2
SCHEMBL31662425 0.85 HRH3 (0.33) KCNH2HTR3A
SCHEMBL31661940 0.82 HTR3A (0.32) HTR3A
SCHEMBL31661927 0.74 HRH3 (0.33) KCNH2HTR3A
SCHEMBL31662468 0.71 HTR3A (0.33) HTR3APIK3CDPIK3CAMTOR
SCHEMBL31662202 0.69 GSK3B (0.36) WNT1GSK3BDYRK1A
SCHEMBL31661962 0.67 TTK (0.35)
SCHEMBL31661956 0.65 HRH3 (0.35) HTR3A
SCHEMBL31661923 0.62 TTK (0.38) GSK3BDYRK1A
SCHEMBL21276677 0.61 APP (0.44) TLR7ESR1ESR2

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