SCHEMBL16229839

SCHEMBL16229839

CCCc1ccc(CNc2c(C(=O)OCC)cnc3c(C4CC4)cc(C#N)cc23)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.71
▸ PDE6D O43924 2/20 0.59
▸ PDE6A P16499 2/20 0.59
▸ PDE6G P18545 2/20 0.59
▸ PDE6B P35913 2/20 0.59
▸ PDE6C P51160 2/20 0.59
▸ PDE6H Q13956 2/20 0.59

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
SCHEMBL7896528 0.89 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16229838 0.88 PDE5A (0.68) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7898149 0.82 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7167103 0.81 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7168562 0.80 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4993052 0.78 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7185512 0.78 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7167116 0.77 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7159428 0.76 PDE5A (0.81) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7898479 0.76 PDE5A (0.84) 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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