SCHEMBL31661987

SCHEMBL31661987

CCn1cnnc1-c1cc(Oc2ccc(OCCC(C)(C)O)cc2)n2cncc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TTK P33981 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PIM1 P11309 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
SCHEMBL31662074 0.89 CYP2D6 (0.36) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL31661943 0.87 L3MBTL1 (0.35) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL31662204 0.87 CYP2D6 (0.36) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL31662621 0.85 GPR119 (0.33) GPR119
SCHEMBL31661982 0.83 GPR119 (0.34) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL31661926 0.81 TTK (0.32) CYP3A4CYP2D6CYP2C9TTK
SCHEMBL31662494 0.80 CA12 (0.36) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL31661961 0.78 PRKAB2 (0.38)
SCHEMBL31661899 0.75 HRH3 (0.33) GPR119
SCHEMBL31662623 0.75 MAPT (0.33)

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