SCHEMBL7015073

SCHEMBL7015073

CCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)c(I)c21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.54
PDE1A P54750 7/20 0.51
PDE1B Q01064 7/20 0.51
PDE1C Q14123 7/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL6305768 0.93 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6312468 0.91 PDE5A (0.59) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6305530 0.88 PDE5A (0.61) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL7165849 0.86 PDE5A (0.59) PDE5APDE3BPDE3A
SCHEMBL6305113 0.85 PDE5A (0.58) PDE5APDE3BPDE3A
SCHEMBL6308305 0.84 PDE5A (0.69) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6306670 0.84 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6305534 0.84 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6312785 0.83 PDE5A (0.57) PDE5APDE3BPDE3A
SCHEMBL6306675 0.82 PDE5A (0.59) PDE5APDE3BPDE3A

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-1286997-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-03-05 EP disclosed
WO-2001094350-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-12-13 WO disclosed