SCHEMBL7818726

SCHEMBL7818726

CC(=O)Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2

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
PDE3B Q13370 14/20 1.00
PDE3A Q14432 14/20 1.00
PDE5A O76074 9/20 1.00
PDE1A P54750 9/20 1.00
PDE1B Q01064 9/20 1.00
PDE1C Q14123 9/20 1.00

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
SCHEMBL8415581 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7828207 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6307929 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL185627 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7819573 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7819570 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7160159 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5607953 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7495374 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7675829 0.85 PDE4A (0.75) 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 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