SCHEMBL16229846

SCHEMBL16229846

COc1ccc(CNc2c(CO)cnc3c(C)cc(C#N)cc23)cc1C

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.70
▸ PDE6D O43924 2/20 0.68
▸ PDE6A P16499 2/20 0.68
▸ PDE6G P18545 2/20 0.68
▸ PDE6B P35913 2/20 0.68
▸ PDE6C P51160 2/20 0.68
▸ PDE6H Q13956 2/20 0.68

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
SCHEMBL7163507 0.85 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7165733 0.85 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4997159 0.82 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL867660 0.81 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL867728 0.80 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7901928 0.80 PDE5A (0.87) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7892187 0.80 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL31337074 0.80 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595830 0.78 PDE5A (0.75) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7899498 0.78 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B

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-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 — — EP disclosed
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