SCHEMBL31662219

SCHEMBL31662219

Cc1nnc(-c2cc(Oc3ccc(OCCOC4CCOCC4)cc3)n3cncc3c2)n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
HTR6 P50406 1/20 0.33
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL31661898 0.88 TTK (0.34) SRCHTR6GSK3BDYRK1A
SCHEMBL31661862 0.85 HTR6 (0.34) SRCHTR6
SCHEMBL31661926 0.84 TTK (0.32) SRCCYP3A4CYP2D6CYP2C9
SCHEMBL31662168 0.84 TTK (0.30) SRC
SCHEMBL31662100 0.83
SCHEMBL31662163 0.81 SMN1; SMN2 (0.34)
SCHEMBL31662091 0.81
SCHEMBL31662234 0.81
SCHEMBL31662359 0.81 QPCTL (0.42)
SCHEMBL31662277 0.78 MAPT (0.38)

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