SCHEMBL1891582

SCHEMBL1891582

O=c1c2c([nH]c3ccccc13)C(C1=C3C=COC=C3CC1)N(c1ncc(-c3ccccn3)cn1)C2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.59
PDE6C P51160 8/20 0.59
PDE11A Q9HCR9 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
SCHEMBL6407726 1.00 PDE5A (0.59) PDE5APDE6CPDE11A
SCHEMBL6634306 0.86 PDE5A (0.56) PDE5APDE6CPDE11A
SCHEMBL1887267 0.86 PDE5A (0.56) PDE5APDE6CPDE11A
SCHEMBL6407766 0.75 PDE5A (0.42) PDE5APDE6C
SCHEMBL6407728 0.74 PDE5A (0.83) PDE5A
SCHEMBL1891581 0.74 PDE5A (0.83) PDE5A
SCHEMBL6407209 0.73 PDE5A (0.61) PDE5APDE6CPDE11A
SCHEMBL6777087 0.70 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL6777089 0.70 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL6775612 0.70 PDE5A (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086504-A1 POLYMERIC MICROEMULSIONS JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-20110112115-A1 POLYMERIC MICROEMULSIONS ARIEN ALBERTINA MARIA EDUARDA 2011-05-12 US disclosed
EP-1504047-B1 POLYMERIC MICROEMULSIONS JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 EP disclosed
US-20060034797-A1 Polymeric micromulsions ETHICON INC. 2006-02-16 US disclosed
EP-1504047-A1 POLYMERIC MICROEMULSIONS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-09 EP disclosed
WO-2003093344-A1 POLYMERIC MICROEMULSIONS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-13 WO disclosed