SCHEMBL6058528

SCHEMBL6058528

CCCOc1ccc(C(=O)CN2CCOCC2)cc1-c1nc2c(CCC)n[nH]c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.67
PDE6C P51160 3/20 0.67
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE11A Q9HCR9 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1872915 0.87 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL5990273 0.86 PDE5A (0.50) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL146830 0.85 PDE5A (0.90) PDE5APDE6C
SCHEMBL29611957 0.85 PDE5A (0.90) PDE5APDE6C
SCHEMBL2567278 0.82 PDE5A (0.70) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL5085819 0.81 PDE5A (0.65) PDE5APDE6CALDH1A1MAPTHSD17B10
SCHEMBL5085823 0.81 PDE5A (0.56) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL5964550 0.81 PDE5A (0.70) PDE5APDE6C
SCHEMBL147337 0.80 PDE5A (1.00) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6367349 0.79 PDE5A (0.84) 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-7153824-B2 Inhibitors of phosphodiesterases in infertility APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-12-26 US disclosed