SCHEMBL970

SCHEMBL970

CCCc1n[nH]c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.74
PDE1A P54750 4/20 0.74
PDE1B Q01064 4/20 0.74
PDE1C Q14123 4/20 0.74
PDE3B Q13370 3/20 0.74
PDE3A Q14432 3/20 0.74
ABCC4 O15439 2/20 0.74
PDE4B Q07343 2/20 0.74
PDE2A O00408 1/20 0.74
ABCC5 O15440 1/20 0.74
PDE6D O43924 1/20 0.74
PDE8A O60658 1/20 0.74
PDE9A O76083 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP3A4 P08684 1/20 0.74
HTR1A P08908 1/20 0.74
PDE6A P16499 1/20 0.74
PDE6G P18545 1/20 0.74
PDE4A P27815 1/20 0.74
ADORA2A P29274 1/20 0.74

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
SCHEMBL3671938 0.87 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL31155720 0.87 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL3671939 0.85 PDE5A (0.55) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL5683880 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL1895 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL29361663 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL5691322 0.85 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL19410952 0.85 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL584340 0.85 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE3B
Sildenafil SCHEMBL7915871 0.85 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 CN claimed
JP-11171879-A None JP disclosed
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 CN disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
JP-H11171879-A PRODUCTION OF SILDENAFIL PFIZER INC 1999-06-29 JP disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed