SCHEMBL6776159

SCHEMBL6776159

CCCOc1ccccc1-c1nc2c(CCC)nn(Cc3c(C)noc3C)c2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.56
PDE1A P54750 3/20 0.56
PDE1B Q01064 3/20 0.56
PDE1C Q14123 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
KDM4E B2RXH2 1/20 0.47
PDE2A O00408 1/20 0.47
PDE6D O43924 1/20 0.47
USP2 O75604 1/20 0.47
PDE9A O76083 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE6A P16499 1/20 0.47

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
SCHEMBL6339952 0.86 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6330165 0.85 PDE5A (0.65) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332153 0.83 PDE5A (0.58) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332855 0.83 PDE5A (0.60) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6338547 0.82 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6332281 0.82 PDE5A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6338643 0.82 PDE5A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332949 0.82 PDE5A (0.65) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332170 0.81 PDE5A (0.57) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6334405 0.81 PDE5A (0.64) PDE5APDE1APDE1BPDE1CMEN1

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-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed