SCHEMBL7376513

SCHEMBL7376513

CCc1nn(C2CCCC2)c2c1CCN(CC(=O)C=NO)C2=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.58
PDE4B Q07343 17/20 0.58
PDE4D Q08499 17/20 0.58
PDE4C Q08493 16/20 0.58
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL7376342 0.88 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376901 0.85 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7374697 0.74 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6634116 0.71 PDE4A (0.78) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7395757 0.69 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.68 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL84865 0.67 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7369940 0.66 PDE4A (0.80) PDE4APDE4BPDE4DPDE4C
SCHEMBL6638544 0.66 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7400689 0.65 PDE4A (0.81) PDE4APDE4BPDE4DPDE4CADORA3

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-0787132-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996012720-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1996-05-02 WO disclosed