SCHEMBL8804332

SCHEMBL8804332

CCCOc1ccc(COCCN2CCOCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.64
PDE6C P51160 3/20 0.64
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
KMT2A Q03164 1/20 0.53
PDE2A O00408 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCC5 O15440 1/20 0.53
PDE6D O43924 1/20 0.53
PDE8A O60658 1/20 0.53
PDE9A O76083 1/20 0.53
ABCB11 O95342 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
PDE6A P16499 1/20 0.53

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
SCHEMBL7962137 0.91 PDE5A (0.67) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7962710 0.87 PDE5A (0.64) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7963085 0.86 PDE5A (0.61) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7962143 0.84 KMT2A (0.59) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL146830 0.83 PDE5A (0.90) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL29611957 0.83 PDE5A (0.90) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7965324 0.83 PDE5A (0.65) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7962791 0.83 PDE5A (0.64) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7965467 0.82 PDE5A (0.66) PDE5APDE6CHDAC6HDAC1HDAC2
SCHEMBL7960910 0.82 PDE5A (0.64) PDE5APDE6CHDAC6HDAC1HDAC2

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-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed