SCHEMBL6199648

SCHEMBL6199648

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(Cc3ncccn3)nn2CCC)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.75
PDE1A P54750 1/20 0.69
PDE1B Q01064 1/20 0.69
PDE1C Q14123 1/20 0.69
PDE6C P51160 2/20 0.62
PDE11A Q9HCR9 1/20 0.62
PDE6D O43924 1/20 0.58
PDE6A P16499 1/20 0.58
PDE6G P18545 1/20 0.58
PDE6B P35913 1/20 0.58
PDE6H Q13956 1/20 0.58

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
SCHEMBL6197425 0.94 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197112 0.87 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197392 0.86 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6195282 0.82 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197745 0.82 PDE5A (0.73) PDE5A
SCHEMBL6198473 0.82 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197841 0.81 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6193909 0.81 PDE5A (0.80) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6196355 0.81 PDE5A (0.81) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6199853 0.81 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE6C

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