SCHEMBL6197841

SCHEMBL6197841

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(C)nn2Cc2ccccn2)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.71
PDE1A P54750 1/20 0.71
PDE1B Q01064 1/20 0.71
PDE1C Q14123 1/20 0.71
PDE6C P51160 1/20 0.59
PDE11A Q9HCR9 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
SCHEMBL6198388 0.89 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6340439 0.84 PDE5A (0.88) PDE5APDE6CPDE11A
SCHEMBL6333001 0.84 PDE5A (0.80) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6198473 0.84 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6199730 0.82 PDE5A (0.78) PDE5A
SCHEMBL7002163 0.82 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL3836975 0.82 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6199648 0.81 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6197112 0.81 PDE5A (0.66) 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