SCHEMBL5085819

SCHEMBL5085819

CCCc1n[nH]c2c(=O)n(C)c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.65
PDE6C P51160 2/20 0.65
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC2 Q92769 4/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL1872915 0.95 PDE5A (0.58) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL7167750 0.92 PDE5A (0.54) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL7019550 0.83 PDE5A (0.46) PDE5APDE6CKMT2AHSD17B10HDAC1
SCHEMBL6058528 0.81 PDE5A (0.67) PDE5APDE6CALDH1A1MAPTHSD17B10
SCHEMBL5085823 0.79 PDE5A (0.56) PDE5APDE6CALDH1A1MAPTMEN1
SCHEMBL147337 0.79 PDE5A (1.00) PDE5APDE6CALDH1A1MEN1KMT2A
SCHEMBL2032429 0.77 PDE5A (0.78) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL6367349 0.76 PDE5A (0.84) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL3671938 0.75 PDE5A (0.63) PDE5APDE6CPDE3BPDE3A
SCHEMBL15111105 0.74 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702555-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1996-03-27 EP claimed
WO-1994028902-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1994-12-22 WO claimed
EP-1965863-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF LUTS COMPRISING A PDE5 INHIBITOR AND A MUSCARINIC ANTAGONIST Pfizer Products Inc. (US) 2008-09-10 EP disclosed
WO-2007072169-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF LUTS COMPRISING A PDE5 INHIBITOR AND A MUSCARINIC ANTAGONIST PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed