SCHEMBL7965324

SCHEMBL7965324

CCCOc1ccc(C(O)CN2CCOCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.65
PDE6C P51160 2/20 0.65
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53

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
SCHEMBL7959348 0.88 PDE5A (0.67) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL7962137 0.85 PDE5A (0.67) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL146830 0.84 PDE5A (0.90) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL29611957 0.84 PDE5A (0.90) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL8804332 0.83 PDE5A (0.64) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL23386941 0.82 PDE5A (0.63) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL30848755 0.80 PDE5A (0.71) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL13990504 0.80 PDE5A (0.69) PDE5APDE6CPDE3BPDE3A
SCHEMBL8480667 0.80 PDE5A (0.69) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL13990515 0.79 PDE5A (0.68) PDE5APDE6CPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed