SCHEMBL8327149

SCHEMBL8327149

COc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1cc4ccccc4[nH]1)C(=O)N3CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 1.00
PDE4B Q07343 16/20 1.00
PDE4C Q08493 16/20 1.00
PDE4D Q08499 16/20 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 10/20 0.73
PDE3A Q14432 10/20 0.73
CCKBR P32239 4/20 0.63
CCKAR P32238 3/20 0.59
ADRB2 P07550 1/20 0.59
TSPO P30536 1/20 0.59
GLP1R P43220 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59

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
SCHEMBL13350333 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL84897 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5964261 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9123499 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8342507 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6625947 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7495374 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7491542 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7491547 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7499992 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed