SCHEMBL5280717

SCHEMBL5280717

COc1cc(C2CC(C3CCNCC3)CCN2C(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 2/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GPR119 Q8TDV5 4/20 0.35
GNAI3 P08754 1/20 0.35
HTT P42858 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL28154323 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL2503891 0.81 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4555039 0.81 GPR119 (0.48) GPR119
SCHEMBL4555411 0.80 GPR119 (0.52) GPR119
SCHEMBL4554614 0.79 GPR119 (0.53) GPR119
SCHEMBL4553607 0.79 GPR119 (0.44) GPR119
SCHEMBL4433800 0.77 GPR119 (0.41) HSD11B1GPR119
SCHEMBL4555155 0.75 GPR119 (0.50) GPR119
SCHEMBL3824033 0.73 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL310046 0.73 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DMAPT

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
EP-1784399-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021457-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed