SCHEMBL5261773

SCHEMBL5261773

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1[nH]c2c(c1Cl)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.54
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE1A P54750 5/20 0.44
PDE1B Q01064 5/20 0.44
PDE1C Q14123 5/20 0.44

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
SCHEMBL5259473 0.96 PDE5A (0.49) PDE5A
SCHEMBL5265562 0.96 PDE5A (0.48) PDE5A
SCHEMBL5830112 0.95 PDE5A (0.52) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5258471 0.94 PDE5A (0.52) PDE5A
SCHEMBL5264105 0.93 PDE5A (0.54) PDE5A
SCHEMBL5830538 0.93 PDE5A (0.50) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5831049 0.93 PDE5A (0.47) PDE5A
SCHEMBL5259436 0.93 PDE5A (0.54) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5259471 0.92 PDE5A (0.54) PDE5A
SCHEMBL5830968 0.91 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B

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