SCHEMBL4686333

SCHEMBL4686333

[CH2]Cc1nccnc1CC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL34472956 0.86 PDE3B (0.39) PDE3BPDE3A
SCHEMBL1131513 0.86 PDE3B (0.39) PDE3BPDE3A
Ammonia Solution, Strong SCHEMBL28980458 0.83 PDE3B (0.38) PDE3BPDE3A
SCHEMBL28865690 0.76 PDE3B (0.34) PDE3BPDE3A
SCHEMBL23920165 0.74 PDE3B (0.33) PDE3BPDE3A
SCHEMBL29364887 0.74 PDE3B (0.39) PDE3BPDE3A
SCHEMBL7497070 0.74 PDE3B (0.33) PDE3BPDE3A
SCHEMBL17370232 0.74 PDE3B (0.33) PDE3BPDE3A
SCHEMBL18641591 0.74 PDE3B (0.39) PDE3BPDE3A
SCHEMBL17370233 0.74 PDE3B (0.33) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1039999-C Vasopressin antagonist and oxytocin antagonist, process for their preparation and pharmaceutical compositions containing them OTSUKA CHEMICAL CO LTD (JP) 1998-09-30 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed