SCHEMBL16401282

SCHEMBL16401282

COc1ccc2nc3c(c(NCc4ccc(OC)c(Cl)c4)c2c1)CN(CC=O)CC3

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.73
PDE6C P51160 2/20 0.61
PDE6D O43924 1/20 0.61
PDE6A P16499 1/20 0.61
PDE6G P18545 1/20 0.61
PDE6B P35913 1/20 0.61
PDE6H Q13956 1/20 0.61

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
SCHEMBL16410983 0.85 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16210977 0.81 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16401770 0.78 PDE5A (0.89) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL23295122 0.78 PDE5A (0.90) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16211000 0.77 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16211010 0.77 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL17792390 0.76 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL15131967 0.76 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16403389 0.75 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16403420 0.74 PDE5A (0.82) PDE5APDE6CPDE6DPDE6APDE6G

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022205-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-05-25 EP disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed