SCHEMBL4381915

SCHEMBL4381915

CNc1nc(-n2ccnc2)nc2ccc(Cl)cc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.69
HTR3A P46098 4/20 0.57
HRH4 Q9H3N8 3/20 0.57
TBXAS1 P24557 3/20 0.51
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL715585 0.82 PDE5A (1.00) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL7431759 0.82 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7373964 0.82 PDE5A (0.69) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7280241 0.81 PDE5A (1.00) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7443205 0.81 PDE5A (0.69) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL7278005 0.77 PDE5A (0.71) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL7280014 0.77 PDE5A (0.65) PDE5AHTR3AHRH4TBXAS1PDE3B
SCHEMBL7280235 0.76 PDE5A (0.64) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7279626 0.76 PDE5A (0.66) PDE5AHTR3AHRH4TBXAS1PDE3B
Hydrochloric Acid SCHEMBL7287960 0.76 PDE5A (0.64) PDE5AHTR3AHRH4TBXAS1PDE3B

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-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed