SCHEMBL7010063

SCHEMBL7010063

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCCC3)c(Cn3cnc4ccccc43)sc21

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.69
CYP2C9 P11712 12/20 0.69
CYP3A4 P08684 7/20 0.69
SLC16A7 O60669 1/20 0.55

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
SCHEMBL7008659 0.80 SLC16A1 (0.57) SLC16A1CYP2C9CYP3A4
SCHEMBL7005642 0.79 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7005454 0.78 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5864658 0.76 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL6721723 0.76 PDE2A (0.45) SLC16A1CYP2C9CYP3A4
SCHEMBL7848415 0.74 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3829938 0.73 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3830034 0.73 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7005435 0.73 PDE1B (0.57) SLC16A1CYP2C9CYP3A4
SCHEMBL4803068 0.73 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4

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 6 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 claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
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