SCHEMBL7491547

SCHEMBL7491547

COc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccc(Cl)cc1)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 17/20 1.00
PDE3A Q14432 17/20 1.00
PDE5A O76074 13/20 1.00
PDE1A P54750 13/20 1.00
PDE1B Q01064 13/20 1.00
PDE1C Q14123 13/20 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
SCHEMBL7491542 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7497395 0.92 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7495374 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6625947 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7491123 0.85 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7499989 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7499992 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7496020 0.84 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8342507 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13350333 0.82 PDE4A (1.00) 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 3 patents. 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 claimed
US-5852190-A Diazepinoindoles as phosphodiesterase IV inhibitors INSTITUT DE RECHERCHE JOUVEINAL SA (FR) 1998-12-22 US claimed
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 EP disclosed