SCHEMBL6199853

SCHEMBL6199853

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(-c3ccccc3)nn2CC)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.67
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64
PDE1C Q14123 1/20 0.64
PDE6C P51160 2/20 0.62
PDE11A Q9HCR9 1/20 0.62
PDE6D O43924 1/20 0.59
PDE6A P16499 1/20 0.59
PDE6G P18545 1/20 0.59
PDE6B P35913 1/20 0.59
PDE6H Q13956 1/20 0.59

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
SCHEMBL6197233 0.94 PDE5A (0.72) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197841 0.81 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6199648 0.81 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL2566273 0.80 PDE5A (1.00) PDE5APDE6CPDE11A
SCHEMBL6197392 0.79 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6198473 0.78 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6193514 0.78 PDE5A (0.57) PDE5APDE6C
SCHEMBL2568411 0.78 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL5239052 0.78 PDE5A (0.45) PDE5APDE1APDE1BPDE1C
SCHEMBL6198973 0.77 PDE5A (0.62) PDE5APDE6C

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-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed