SCHEMBL5261706

SCHEMBL5261706

CCCn1c(=O)n2cnnc2c2[nH]c(-c3cc(S(=O)(=O)N4CCN5C=CC[C@H]5C4)ccc3OCC)c(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.45
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL5265802 1.00 PDE5A (0.45) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5262492 0.89 PDE5A (0.57) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5261458 0.89 PDE5A (0.45) PDE5A
SCHEMBL5830570 0.88 PDE5A (0.43) PDE5A
SCHEMBL5831059 0.88 PDE5A (0.43) PDE5A
SCHEMBL5261708 0.88 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5265806 0.88 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5830709 0.87 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5262612 0.86 PDE5A (0.54) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5831211 0.86 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