SCHEMBL5830571

SCHEMBL5830571

CCCOc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1-c1[nH]c2c(c1I)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.43
PDE6C P51160 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5831062 1.00 PDE5A (0.43) PDE5APDE6CPDE11APOLBSMN1; SMN2
SCHEMBL5261461 0.93 PDE5A (0.44) PDE5APDE6CPDE11A
SCHEMBL5831059 0.88 PDE5A (0.43) PDE5APDE6C
SCHEMBL5830570 0.88 PDE5A (0.43) PDE5APDE6C
SCHEMBL5265806 0.88 PDE5A (0.46) PDE5APOLBSMN1; SMN2
SCHEMBL5261708 0.88 PDE5A (0.46) PDE5APOLBSMN1; SMN2
SCHEMBL5827978 0.86 PDE5A (0.55) PDE5A
SCHEMBL5260459 0.82 PDE5A (0.39) PDE5A
SCHEMBL5260296 0.82 PDE5A (0.55) PDE5APDE6CPDE11A
SCHEMBL5259471 0.81 PDE5A (0.54) PDE5APDE6CPDE11A

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