SCHEMBL6777448

SCHEMBL6777448

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HDAC1 Q13547 5/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE6C P51160 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HDAC2 Q92769 2/20 0.49
ABCC5 O15440 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
MTOR P42345 1/20 0.48
HDAC3 O15379 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL6773154 0.93 PDE5A (0.55) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6778750 0.87 PDE5A (0.56) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6777442 0.87 PDE5A (0.54) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6777751 0.86 PDE5A (0.52) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6777761 0.86 PDE5A (0.52) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6776627 0.86 PDE5A (0.53) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6777057 0.86 PDE5A (0.53) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6778276 0.85 PDE5A (0.51) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6783059 0.85 PDE5A (0.53) PDE5AHDAC6HDAC1KMT2AMEN1
SCHEMBL6782391 0.84 PDE5A (0.61) PDE5AHDAC6HDAC1KMT2AMEN1

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
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 claimed
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