SCHEMBL7960669

SCHEMBL7960669

CCCOc1ccccc1-c1nc2c(N(C)C=O)nn(C3CCC3)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.49
PDE1A P54750 6/20 0.49
PDE1B Q01064 6/20 0.49
PDE1C Q14123 6/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE2A O00408 1/20 0.46
PDE6D O43924 1/20 0.46
USP2 O75604 1/20 0.46
PDE9A O76083 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE6A P16499 1/20 0.46

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
SCHEMBL7002211 0.79 PDE5A (0.46) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6998589 0.79 PDE5A (0.51) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL7003787 0.79 PDE5A (0.51) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6997373 0.78 PDE5A (0.49) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5230160 0.75 PDE5A (0.68) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL7002513 0.73 PDE5A (0.48) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL14407676 0.72 PDE7A (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6199245 0.72 PDE5A (0.59) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL5234262 0.70 PDE7A (0.76) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6332709 0.69 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed