SCHEMBL11277267

SCHEMBL11277267

O=c1ccc2ccc(OCCCC[S+]([O-])c3ccccc3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.49
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43

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
SCHEMBL10927018 0.92 KDM4E (0.44) DRD2ACHEMAOBDRD4DRD3
SCHEMBL10928658 0.85 PDE3B (0.41) DRD2ACHEMAOBDRD4DRD3
SCHEMBL30712216 0.82 DRD2 (0.57) DRD2ACHEMAOBDRD4DRD3
SCHEMBL19732216 0.82 DRD2 (0.57) DRD2ACHEMAOBDRD4DRD3
SCHEMBL10929979 0.81 PDE3B (0.42) DRD2DRD4DRD3
SCHEMBL10932055 0.81 KDM4E (0.42) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10924756 0.81 F11 (0.47) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL11281640 0.81 POLB (0.42)
SCHEMBL10927554 0.78 PDE10A (0.42) DRD2DRD4DRD3HTR2B
SCHEMBL11275791 0.78 MEN1 (0.41) DRD2DRD4DRD3HRH3

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