SCHEMBL11270566

SCHEMBL11270566

O=c1ccc2ccc(OCCCCS(=O)(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60
P2RY12 Q9H244 3/20 0.60
DRD2 P14416 15/20 0.50
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
DRD4 P21917 5/20 0.47
DRD3 P35462 5/20 0.47

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
SCHEMBL11266845 0.92 PDE3B (0.62) PDE3BPDE3AP2RY12DRD2DRD4
SCHEMBL11276115 0.85 PDE3B (0.58) PDE3BPDE3AP2RY12DRD2DRD4
SCHEMBL30712216 0.83 DRD2 (0.57) DRD2ACHEMAOBDRD4DRD3
SCHEMBL19732216 0.83 DRD2 (0.57) DRD2ACHEMAOBDRD4DRD3
SCHEMBL11273281 0.80 POLB (0.50) PDE3BPDE3AP2RY12DRD2
SCHEMBL11272074 0.80 PDE3B (0.54) PDE3BPDE3AP2RY12MAOB
SCHEMBL11275661 0.80 PDE3B (0.49) PDE3BPDE3AP2RY12DRD2DRD4
SCHEMBL18496112 0.78 DRD2 (0.49) DRD2ACHEMAOBDRD4DRD3
SCHEMBL29923245 0.78 DRD2 (0.49) DRD2ACHEMAOBDRD4DRD3
SCHEMBL11271536 0.78 DRD2 (0.52) DRD2ACHEMAOBDRD4DRD3

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-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP disclosed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US disclosed
EP-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP disclosed