SCHEMBL5830717

SCHEMBL5830717

CCCn1c(=O)n2cnnc2c2[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)C)C4)ccc3OCC)c(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.44
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
BRD4 O60885 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL5830578 0.95 PDE5A (0.43) PDE5A
SCHEMBL5262857 0.92 PDE5A (0.43) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5262492 0.89 PDE5A (0.57) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5830709 0.88 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5261432 0.88 PDE5A (0.49) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5830156 0.88 PDE5A (0.43) PDE5A
SCHEMBL5831211 0.87 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5829820 0.86 PDE5A (0.49) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5262612 0.86 PDE5A (0.54) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5260943 0.86 PDE5A (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed