SCHEMBL7493301

SCHEMBL7493301

O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.78
PDE4B Q07343 17/20 0.78
PDE4C Q08493 17/20 0.78
PDE4D Q08499 17/20 0.78
PDE3B Q13370 9/20 0.72
PDE3A Q14432 9/20 0.72
PDE5A O76074 5/20 0.66
PDE1A P54750 5/20 0.66
PDE1B Q01064 5/20 0.66
PDE1C Q14123 5/20 0.66
CCKBR P32239 3/20 0.61
CCKAR P32238 2/20 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
SCHEMBL7494752 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490232 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9122239 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9119450 0.87 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490769 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7495324 0.86 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490773 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7496725 0.86 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7497465 0.85 PDE4A (0.79) 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