SCHEMBL6775263

SCHEMBL6775263

CCCc1c2nc(-c3ccccc3OC)[nH]c(=O)c2nn1Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.63
PDE6C P51160 3/20 0.63
PDE1A P54750 4/20 0.48
PDE1B Q01064 4/20 0.48
PDE1C Q14123 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
PDE2A O00408 1/20 0.43
PDE6D O43924 1/20 0.43
USP2 O75604 1/20 0.43
PDE9A O76083 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6334213 0.93 PDE5A (0.63) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6331957 0.92 PDE5A (0.64) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6338375 0.85 PDE5A (0.68) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7247988 0.85 PDE5A (0.59) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6330930 0.84 PDE5A (0.59) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6332755 0.84 PDE5A (0.52) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6332694 0.84 PDE5A (0.62) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6336843 0.82 PDE5A (0.70) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6336939 0.82 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6337409 0.82 PDE5A (0.54) PDE5APDE6CPDE1APDE1BPDE1C

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