SCHEMBL7003224

SCHEMBL7003224

CCCOc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1-c1nc2c([nH]1)c1nncn1c(=O)n2CCC

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.59
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL5827646 0.93 PDE5A (0.69) PDE5APDE3BPDE3A
SCHEMBL5827374 0.92 PDE5A (0.62) PDE5A
SCHEMBL5827295 0.91 PDE5A (0.68) PDE5A
SCHEMBL5827907 0.90 PDE5A (0.65) PDE5APDE3BPDE3A
SCHEMBL5827835 0.90 PDE5A (0.61) PDE5APDE3BPDE3A
SCHEMBL5827397 0.90 PDE5A (0.59) PDE5APDE3BPDE3A
SCHEMBL5827400 0.90 PDE5A (0.58) PDE5A
SCHEMBL5827313 0.89 PDE5A (0.69) PDE5APDE3BPDE3A
SCHEMBL5827844 0.89 PDE5A (0.69) PDE5A
SCHEMBL5827489 0.89 PDE5A (0.58) PDE5A

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
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP disclosed