SCHEMBL31661927

SCHEMBL31661927

CCn1cnnc1-c1cc(Oc2ccc(OCCCN3CC4CC(C3)O4)cc2)c2c(cnn2C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
HTR3A P46098 2/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TTK P33981 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL31662425 0.88 HRH3 (0.33) HRH3HTR3AMAOBKCNH2KDM4E
SCHEMBL31662212 0.86 KCNH2 (0.34) HTR3AKCNH2
SCHEMBL31661940 0.83 HTR3A (0.32) HTR3A
SCHEMBL31661962 0.82 TTK (0.35) TTK
SCHEMBL31662158 0.77 NPBWR1 (0.34) TTKGPR119
SCHEMBL31662373 0.74 KCNH2 (0.34) HTR3AKCNH2
SCHEMBL31662146 0.74 MCHR2 (0.35) HRH3TTKGPR119
SCHEMBL31662273 0.73 MCHR2 (0.34) GPR119
SCHEMBL31662154 0.73 TUBB4A (0.34) TTKGPR119
SCHEMBL31661923 0.72 TTK (0.38) TTK

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