SCHEMBL6775772

SCHEMBL6775772

CCCOc1ncc(NC(=O)OCc2ccccc2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE1C Q14123 1/20 0.53
HDAC6 Q9UBN7 9/20 0.51
HDAC1 Q13547 8/20 0.51
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
HDAC2 Q92769 4/20 0.49
PDE6C P51160 1/20 0.49
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL6776627 0.91 PDE5A (0.53) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6778750 0.86 PDE5A (0.56) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6777442 0.85 PDE5A (0.54) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6777057 0.84 PDE5A (0.53) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6773154 0.84 PDE5A (0.55) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6777448 0.82 PDE5A (0.54) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6777008 0.81 PDE5A (0.51) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6782391 0.80 PDE5A (0.61) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6778560 0.78 PDE5A (0.58) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL31202656 0.75 PDE5A (0.86) PDE5AMEN1ALDH1A1HPGDPDE1A

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
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed