SCHEMBL5260805

SCHEMBL5260805

CCCOc1ccc(S(=O)(=O)NN2CCN(C)CC2)cc1-c1[nH]c2c(c1Cl)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.42
PDE6C P51160 1/20 0.38
PDE11A Q9HCR9 1/20 0.38

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
SCHEMBL5259471 0.89 PDE5A (0.54) PDE5APDE6CPDE11A
SCHEMBL5261816 0.87 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL5261815 0.87 PDE5A (0.40) PDE5A
SCHEMBL5261074 0.86 PDE5A (0.36) PDE5A
SCHEMBL5261002 0.86 CA12 (0.40) PDE5APDE6CPDE11A
SCHEMBL5261527 0.86 PDE5A (0.45) PDE5A
SCHEMBL5261737 0.85 ADORA1 (0.43) PDE5A
SCHEMBL5830512 0.85 PDE5A (0.43) PDE5A
SCHEMBL5261431 0.85 PDE5A (0.52) PDE5A
SCHEMBL5830712 0.84 PDE5A (0.46) PDE5APDE6CPDE11A

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-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP disclosed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed