SCHEMBL7004007

SCHEMBL7004007

CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C(=O)O)nn(Cc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.62
PDE1A P54750 3/20 0.62
PDE1B Q01064 3/20 0.62
PDE1C Q14123 3/20 0.62
PDE3B Q13370 3/20 0.62
PDE3A Q14432 3/20 0.62
ABCC4 O15439 2/20 0.62
PDE4B Q07343 2/20 0.62
PDE2A O00408 1/20 0.62
ABCC5 O15440 1/20 0.62
PDE6D O43924 1/20 0.62
PDE8A O60658 1/20 0.62
PDE9A O76083 1/20 0.62
ABCB11 O95342 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
PDE6A P16499 1/20 0.62
PDE6G P18545 1/20 0.62
PDE4A P27815 1/20 0.62
ADORA2A P29274 1/20 0.62

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
SCHEMBL6995161 0.94 PDE5A (0.61) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5595162 0.88 PDE5A (0.78) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6774601 0.83 PDE5A (0.70) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5595239 0.83 PDE5A (0.68) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6332455 0.82 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6333017 0.82 PDE5A (0.72) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6340020 0.81 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6334468 0.81 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL7002163 0.80 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6337757 0.80 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed