SCHEMBL6319484

SCHEMBL6319484

CCOC(=O)c1sc(Nc2nc(NC3CCc4ccc(OC)cc43)c3c(ncn3CC)n2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.62
PDE3A Q14432 4/20 0.62
PDE2A O00408 2/20 0.62
PDE5A O76074 4/20 0.54
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.44
DHODH Q02127 5/20 0.40
PDE10A Q9Y233 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6319070 0.94 PDE3B (0.62) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317718 0.91 PDE3B (0.67) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6325720 0.90 PDE3B (0.59) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6323728 0.90 PDE3B (0.59) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6316078 0.87 PDE3B (0.66) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6319457 0.86 PDE3B (0.58) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6319303 0.77 PDE3B (1.00) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6323438 0.76 PDE3B (0.90) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6325377 0.76 PDE3B (0.84) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317793 0.75 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed