SCHEMBL7310252

SCHEMBL7310252

CCCn1nc(COCc2ccccc2)c(C(N)=O)c1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.50
PDE1A P54750 4/20 0.47
PDE1B Q01064 4/20 0.47
PDE1C Q14123 4/20 0.47
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
ABCC4 O15439 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE2A O00408 1/20 0.44
ABCC5 O15440 1/20 0.44
PDE6D O43924 1/20 0.44
PDE8A O60658 1/20 0.44
PDE9A O76083 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44

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
SCHEMBL6201352 0.85 KMT2A (0.51) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7307870 0.84 PDE5A (0.59) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL7304817 0.80 PDE5A (0.56) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL6193909 0.78 PDE5A (0.80) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL7312580 0.76 LMNA (0.42) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL7315870 0.73 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL6197039 0.71 KMT2A (0.53) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL6197392 0.71 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6194105 0.70 KMT2A (0.45) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6332500 0.70 KMT2A (0.52) PDE5APDE1APDE1BPDE1CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed