SCHEMBL8556782

SCHEMBL8556782

CCc1nn(C2CCCC2)c2c1CN(c1ccccc1)C2=O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.79
PDE4B Q07343 19/20 0.79
PDE4D Q08499 19/20 0.79
PDE4C Q08493 18/20 0.79
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CASP3 P42574 1/20 0.38

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
SCHEMBL7395757 0.88 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.78 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7400689 0.77 PDE4A (0.81) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL84865 0.77 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7369940 0.76 PDE4A (0.80) PDE4APDE4BPDE4DPDE4C
SCHEMBL7374697 0.75 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7401440 0.75 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376577 0.75 PDE4A (1.00) PDE4APDE4BPDE4DPDE4C
SCHEMBL7398485 0.74 PDE4A (0.96) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL8556013 0.74 PDE4A (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738270-B1 DIHYDRO PYRAZOLOPYRROLES PFIZER (US) 1998-05-06 EP disclosed
US-5596013-A INHIBITORS OF PHOSPHODIESTERASE TYPE IV AND PRODUCTION OF TUMOR NECROSIS FACTOR PFIZER INC (US) 1997-01-21 US disclosed
US-5508300-A INHIBIT PHOSPHODIESTERASE AND PRODUCTION OF TUMOR NECROSIS FACTOR; TREATING INFLAMMATORY DISEASES PFIZER INC. (US) 1996-04-16 US disclosed