SCHEMBL1833

SCHEMBL1833

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(N)=O)CC4)ccc3OCC)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
PDE3B Q13370 4/20 0.82
PDE3A Q14432 4/20 0.82
ABCC4 O15439 2/20 0.79
PDE2A O00408 1/20 0.79
ABCC5 O15440 1/20 0.79
PDE6D O43924 1/20 0.79
PDE8A O60658 1/20 0.79
PDE9A O76083 1/20 0.79
ABCB11 O95342 1/20 0.79
CYP3A4 P08684 1/20 0.79
HTR1A P08908 1/20 0.79
PDE6A P16499 1/20 0.79
PDE6G P18545 1/20 0.79
PDE4A P27815 1/20 0.79
ADORA2A P29274 1/20 0.79
ADORA1 P30542 1/20 0.79
ADRA1A P35348 1/20 0.79
PDE6B P35913 1/20 0.79
PDE6C P51160 1/20 0.79

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
SCHEMBL24051300 0.94 PDE5A (0.89) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL16972499 0.92 PDE5A (0.85) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL16972470 0.92 PDE5A (0.85) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL16972497 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL16972521 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL24051299 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL18577850 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL16972455 0.91 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL30848678 0.91 PDE5A (0.95) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL18592598 0.90 PDE5A (0.82) PDE5APDE3BPDE3AABCC4PDE2A

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-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