SCHEMBL7003787

SCHEMBL7003787

CCCOc1ccccc1-c1nc2c(N(C)C=O)nn(Cc3ccc(Br)cc3)c2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.51
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE1C Q14123 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE2A O00408 1/20 0.44
PDE6D O43924 1/20 0.44
USP2 O75604 1/20 0.44
PDE9A O76083 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL6998589 0.91 PDE5A (0.51) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6997373 0.87 PDE5A (0.49) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL7002211 0.86 PDE5A (0.46) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6999649 0.85 PDE5A (0.51) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL7960669 0.79 PDE5A (0.49) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6338643 0.76 PDE5A (0.61) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL7002199 0.75 PDE5A (0.52) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL7002142 0.72 PDE5A (0.50) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6340940 0.72 PDE5A (0.57) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL6334405 0.72 PDE5A (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed