SCHEMBL7494752

SCHEMBL7494752

O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1ccccc1I

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.72
PDE4B Q07343 18/20 0.72
PDE4C Q08493 18/20 0.72
PDE4D Q08499 18/20 0.72
PDE3B Q13370 8/20 0.72
PDE3A Q14432 8/20 0.72
PDE5A O76074 6/20 0.66
PDE1A P54750 6/20 0.66
PDE1B Q01064 6/20 0.66
PDE1C Q14123 6/20 0.66
CCKAR P32238 1/20 0.61
CCKBR P32239 1/20 0.61

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
SCHEMBL7494421 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7493301 0.89 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490232 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7496725 0.86 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14468290 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7491635 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7491632 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8542058 0.83 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7492646 0.83 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9119450 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B

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