SCHEMBL5085823

SCHEMBL5085823

CCCc1n[nH]c2c(=O)[nH]c(Cc3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.56
PDE6C P51160 2/20 0.56
PDE9A O76083 2/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PKM P14618 1/20 0.36
AKT1 P31749 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5990273 0.95 PDE5A (0.50) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL17333641 0.93 PDE5A (0.47) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL7019558 0.82 PARP1 (0.41) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL6058528 0.81 PDE5A (0.67) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL5085819 0.79 PDE5A (0.65) PDE5APDE6CMAPTALDH1A1MEN1
SCHEMBL16972452 0.75 PDE1A (0.48) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL3671939 0.74 PDE5A (0.55) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL1872915 0.74 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7085453 0.74 PDE5A (0.36) PDE5APDE6CPDE9APDE1APDE1B
SCHEMBL14685955 0.73 KDM4E (0.41) PDE5APDE6CPDE9APDE1AKMT2A

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