SCHEMBL6644331

SCHEMBL6644331

CCCOc1ccc(S(=O)(=O)N2CCN(CCF)CC2)cc1-c1nc2c(CCC)c(I)n(C)c2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.65
PDE3B Q13370 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL6644089 0.96 PDE5A (0.66) PDE5APDE3BPDE3A
SCHEMBL6646590 0.95 PDE5A (0.65) PDE5APDE3BPDE3A
SCHEMBL6645498 0.93 PDE5A (0.74) PDE5APDE3BPDE3A
SCHEMBL6643436 0.92 PDE5A (0.66) PDE5APDE3BPDE3A
SCHEMBL6640125 0.91 PDE5A (0.66) PDE5A
SCHEMBL6646009 0.91 PDE5A (0.65) PDE5APDE3BPDE3A
SCHEMBL6643348 0.91 PDE5A (0.63) PDE5APDE3BPDE3A
SCHEMBL6641694 0.88 PDE5A (0.66) PDE5APDE3BPDE3A
SCHEMBL6646132 0.87 PDE5A (0.75) PDE5APDE3BPDE3A
SCHEMBL6643613 0.87 PDE5A (0.65) PDE5APDE3BPDE3A

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
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed