SCHEMBL7498909

SCHEMBL7498909

O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1cccc(F)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.75
PDE4B Q07343 19/20 0.75
PDE4C Q08493 19/20 0.75
PDE4D Q08499 19/20 0.75
PDE5A O76074 6/20 0.66
PDE1A P54750 6/20 0.66
PDE1B Q01064 6/20 0.66
PDE1C Q14123 6/20 0.66
PDE3B Q13370 10/20 0.65
PDE3A Q14432 10/20 0.65
CCKBR P32239 1/20 0.57

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
SCHEMBL7492646 0.91 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7497465 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7501830 0.88 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7495324 0.86 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7491635 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7491632 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9120517 0.85 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7494421 0.85 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7490769 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7490773 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A

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
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 EP disclosed