SCHEMBL7782809

SCHEMBL7782809

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C1=Nc2c(CCC)nn(C)c2C(=O)[N]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE1C Q14123 2/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL5076135 0.88 PDE5A (0.54) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5795456 0.86 CA12 (0.59) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7449440 0.82 PDE5A (0.56) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7365582 0.78 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL31202702 0.77 PDE5A (0.90) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL1190 0.77 PDE5A (0.90) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6249945 0.77 PDE5A (0.48) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6634460 0.75 PDE5A (0.55) PDE5A
SCHEMBL6716971 0.75 PDE5A (0.76) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL18069563 0.74 PDE5A (0.60) PDE5APDE3BPDE3APDE1APDE1B

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-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed