SCHEMBL7167750

SCHEMBL7167750

CCCc1n[nH]c2c(=O)n(C)c(-c3cc(C(=O)CN4CCOCC4)ccc3OC(C)C)nc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.54
PDE6C P51160 2/20 0.54
SLC7A11 Q9UPY5 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.37
PDE4B Q07343 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5085819 0.92 PDE5A (0.65) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL1872915 0.91 PDE5A (0.58) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL6058528 0.78 PDE5A (0.67) PDE5APDE6CALDH1A1MAPTHSD17B10
SCHEMBL7019550 0.74 PDE5A (0.46) PDE5APDE6CKMT2AHSD17B10PDE4B
SCHEMBL5085823 0.73 PDE5A (0.56) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL5990273 0.72 PDE5A (0.50) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL147337 0.70 PDE5A (1.00) PDE5APDE6CALDH1A1MEN1KMT2A
SCHEMBL29611957 0.70 PDE5A (0.90) PDE5APDE6C
SCHEMBL146830 0.70 PDE5A (0.90) PDE5APDE6C
SCHEMBL2032429 0.69 PDE5A (0.78) PDE5APDE6C

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
WO-2003047588-A1 KIT FOR REDUCING ACHING CAUSED BY PDE-V INHIBITORS PFIZER LIMITED (GB) 2003-06-12 WO disclosed