SCHEMBL7821875

SCHEMBL7821875

Cc1cn(CC2CCCCC2)c(=O)n(CCCCl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
PDE1A P54750 5/20 0.38
PDE1B Q01064 5/20 0.38
PDE1C Q14123 5/20 0.38
BRD4 O60885 8/20 0.37
CTSK P43235 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
CYP11B2 P19099 1/20 0.36

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
SCHEMBL7832934 0.75 TRPC5 (0.35) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL7834052 0.75 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL7832968 0.73 HPGD (0.47) BRD4
SCHEMBL22511490 0.72 BRD4 (0.39) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL7830570 0.71 TRPC5 (0.42) BRD4
SCHEMBL7821710 0.71 SMN1; SMN2 (0.47)
SCHEMBL7832039 0.70 TNF (0.40)
SCHEMBL7836731 0.69 MAPT (0.46) PDE1APDE1BPDE1C
SCHEMBL4480781 0.69 PDE1C (0.38) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL24066359 0.68 BRD4 (0.35) PDE4APDE4BPDE4CPDE4DBRD4

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-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed