SCHEMBL5262294

SCHEMBL5262294

CCCOc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1-c1[nH]c2c(c1Br)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.52
PDE6C P51160 2/20 0.51
PDE6D O43924 1/20 0.51
PDE6A P16499 1/20 0.51
PDE6G P18545 1/20 0.51
PDE6B P35913 1/20 0.51
PDE6H Q13956 1/20 0.51
PDE11A Q9HCR9 1/20 0.47

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
SCHEMBL5260296 0.97 PDE5A (0.55) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5261816 0.92 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL5831150 0.92 PDE5A (0.57) PDE5A
SCHEMBL5830458 0.92 PDE5A (0.53) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5261563 0.91 PDE5A (0.52) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5261393 0.91 PDE5A (0.47) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5829824 0.90 PDE5A (0.49) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5259436 0.90 PDE5A (0.54) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5259471 0.89 PDE5A (0.54) PDE5APDE6CPDE11A
SCHEMBL5830642 0.89 PDE5A (0.47) PDE5APDE6CPDE6DPDE6APDE6G

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