SCHEMBL7006341

SCHEMBL7006341

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C=O)sc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 8/20 0.43
PDE1B Q01064 8/20 0.43
PDE1C Q14123 8/20 0.43
PDE2A O00408 5/20 0.43
ALDH1A1 P00352 2/20 0.42
CFTR P13569 2/20 0.40
PDE5A O76074 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN1A P35498 1/20 0.40
PDE6C P51160 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL7857649 1.00 PDE1A (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7856501 0.91 PDE1A (0.37) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL19759435 0.83 PDE1A (0.46) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL6345596 0.82 PDE1A (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7014557 0.80 PDE1A (0.42) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864669 0.77 PDE1B (0.47) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL7011267 0.75 PDE1B (0.39) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL5864838 0.75 ALDH1A1 (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5865238 0.75 SMN1; SMN2 (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7007286 0.74 PDE1B (0.38) PDE1APDE1BPDE1CPDE2AALDH1A1

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
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed