SCHEMBL7376577

SCHEMBL7376577

CCc1nn(C2CCCCC2)c2c1CCN(c1cccc(OC)c1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 1.00
PDE4B Q07343 19/20 1.00
PDE4C Q08493 19/20 1.00
PDE4D Q08499 19/20 1.00
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7369940 0.88 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7400689 0.87 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL7395757 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7401440 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7376573 0.81 PDE4A (0.85) PDE4APDE4BPDE4CPDE4D
SCHEMBL14455896 0.79 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7369182 0.78 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL84865 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6634116 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7407078 0.76 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D

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