SCHEMBL31662212

SCHEMBL31662212

CCn1cnnc1-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
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
WNT1 P04628 4/20 0.33
GSK3B P49841 4/20 0.33
DYRK1A Q13627 4/20 0.33
KRAS P01116 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HTR3A P46098 1/20 0.31
PDE1B Q01064 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL31661940 0.93 HTR3A (0.32) HTR3A
SCHEMBL31662373 0.89 KCNH2 (0.34) KCNH2MCHR1ESR1ESR2WNT1
SCHEMBL31661927 0.86 HRH3 (0.33) KCNH2HTR3A
SCHEMBL31661962 0.79 TTK (0.35)
SCHEMBL31662425 0.74 HRH3 (0.33) KCNH2HTR3A
SCHEMBL31662158 0.72 NPBWR1 (0.34) MCHR1GSK3B
SCHEMBL31662111 0.71 MCHR2 (0.33) MCHR1
SCHEMBL31662146 0.71 MCHR2 (0.35) MCHR1
SCHEMBL31662273 0.70 MCHR2 (0.34) MCHR1
SCHEMBL31662154 0.70 TUBB4A (0.34) MCHR1

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