SCHEMBL7822162

SCHEMBL7822162

COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(N)cc3c2N(CC3)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00
PDE5A O76074 11/20 1.00
PDE1A P54750 11/20 1.00
PDE1B Q01064 11/20 1.00
PDE1C Q14123 11/20 1.00
PDE3B Q13370 15/20 0.84
PDE3A Q14432 15/20 0.84

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
SCHEMBL7497869 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7495975 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7163290 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7163288 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7496725 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6995252 0.89 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7820696 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7820700 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6625947 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7159233 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828742-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS JOUVEINAL INST RECH (FR) 2001-12-19 EP disclosed
EP-1132390-A2 Diazepinoindoles as phophodiesterase inhibitors INSTITUT DE RECHERCHE JOUVEINAL (FR) 2001-09-12 EP disclosed