SCHEMBL31662074

SCHEMBL31662074

CCn1cnnc1-c1cc(Oc2ccc(OCCCO)cc2)n2cncc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.36
CYP2C9 P11712 4/20 0.36
CYP3A4 P08684 4/20 0.36
AGER Q15109 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
GPR119 Q8TDV5 1/20 0.31
QPCTL Q9NXS2 1/20 0.30
CYP19A1 P11511 3/20 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
SCHEMBL31661943 0.92 L3MBTL1 (0.35) CYP2D6CYP2C9CYP3A4GPR119
SCHEMBL31662204 0.90 CYP2D6 (0.36) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL31661987 0.89 CYP3A4 (0.33) CYP2D6CYP2C9CYP3A4GPR119
SCHEMBL31661982 0.87 GPR119 (0.34) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL31662621 0.87 GPR119 (0.33) GPR119QPCTL
SCHEMBL31662494 0.83 CA12 (0.36) CYP2D6CYP2C9CYP3A4GPR119
SCHEMBL31661926 0.82 TTK (0.32) CYP2D6CYP2C9CYP3A4
SCHEMBL31662252 0.82 TLR8 (0.38)
SCHEMBL31661961 0.81 PRKAB2 (0.38)
SCHEMBL31662193 0.78 TBXAS1 (0.32)

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