SCHEMBL1751

SCHEMBL1751

CCOc1ccccc1-c1nc2c(COC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.83
PDE1A P54750 3/20 0.83
PDE1B Q01064 3/20 0.83
PDE1C Q14123 3/20 0.83
KMT2A Q03164 2/20 0.83
MEN1 O00255 1/20 0.83
ALDH1A1 P00352 1/20 0.83
HPGD P15428 1/20 0.83
KDM4E B2RXH2 2/20 0.70
PDE3B Q13370 2/20 0.66
PDE3A Q14432 2/20 0.66
PDE6C P51160 2/20 0.59
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
PDE2A O00408 1/20 0.54
ABCC4 O15439 1/20 0.54
ABCC5 O15440 1/20 0.54
PDE6D O43924 1/20 0.54
PDE8A O60658 1/20 0.54

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
SCHEMBL31174349 0.91 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1202 0.91 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL12462404 0.90 PDE5A (0.84) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1392 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL799 0.83 PDE5A (0.86) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL31202656 0.83 PDE5A (0.86) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL3316795 0.83 PDE5A (0.82) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6718781 0.82 PDE5A (0.85) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6719476 0.81 PDE5A (0.81) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1160 0.80 PDE5A (0.80) PDE5APDE1APDE1BPDE1CKMT2A

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-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed