SCHEMBL31661940

SCHEMBL31661940

CCn1cnnc1-c1cc(Oc2ccc(OCCCN3CC4CCC3CO4)cc2)c2c(cnn2C)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.32

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 0.93 KCNH2 (0.34) HTR3A
SCHEMBL31661927 0.83 HRH3 (0.33) HTR3A
SCHEMBL31662373 0.82 KCNH2 (0.34) HTR3A
SCHEMBL31661962 0.80 TTK (0.35)
SCHEMBL31662468 0.78 HTR3A (0.33) HTR3A
SCHEMBL31662111 0.74 MCHR2 (0.33)
SCHEMBL31661954 0.72 TTK (0.32)
SCHEMBL31662425 0.72 HRH3 (0.33) HTR3A
SCHEMBL31662158 0.72 NPBWR1 (0.34)
SCHEMBL31662146 0.70 MCHR2 (0.35)

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