SCHEMBL31662359

SCHEMBL31662359

COc1ccc(Cn2cnnc2-c2cc(Oc3ccc(OCCOC4CCOCC4)cc3)n3cncc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 3/20 0.42
PDE1A P54750 10/20 0.35
PDE1B Q01064 10/20 0.35
PDE1C Q14123 10/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
BRD4 O60885 1/20 0.33
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE2A O00408 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL31661862 0.89 HTR6 (0.34)
SCHEMBL31661926 0.89 TTK (0.32)
SCHEMBL31661898 0.85 TTK (0.34)
SCHEMBL31662168 0.83 TTK (0.30)
SCHEMBL31662100 0.83
SCHEMBL31662219 0.81 SRC (0.33)
SCHEMBL31662163 0.80 SMN1; SMN2 (0.34) MAPK1SMN1; SMN2
SCHEMBL31662234 0.77
SCHEMBL31662091 0.77
SCHEMBL31662277 0.75 MAPT (0.38) SMN1; SMN2

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 1 patent. 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 disclosed