SCHEMBL7019550

SCHEMBL7019550

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.46
PDE6C P51160 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
PDE4B Q07343 2/20 0.42
ABCC4 O15439 2/20 0.42
PDE2A O00408 1/20 0.42
ABCC5 O15440 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE9A O76083 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42

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
SCHEMBL6433453 0.85 NPSR1 (0.43) PDE5APDE6CNPSR1KMT2ALRRK2
SCHEMBL5085819 0.83 PDE5A (0.65) PDE5APDE6CPDE3BPDE3AKMT2A
SCHEMBL3671938 0.82 PDE5A (0.63) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7019558 0.79 PARP1 (0.41) PDE5APDE6CNPSR1PDE3BPDE3A
Citric Acid SCHEMBL18919600 0.77 PDE5A (0.68) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL1872915 0.77 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL145682 0.77 PDE5A (0.77) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL29707546 0.77 PDE5A (0.77) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL14685941 0.77 KDM4E (0.46) PDE5APDE6CPDE1APDE2AABCC5
SCHEMBL14685954 0.76 KDM4E (0.48) PDE5APDE6CPDE3BPDE3APDE1A

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-1276481-A2 DAILY TREATMENT FOR ERECTILE DYSFUNCTION USING A PDE5 INHIBITOR Lilly Icos LLC (US) 2003-01-22 EP claimed
WO-2001080860-A2 DAILY TREATMENT FOR ERECTILE DYSFUNCTION USING A PDE5 INHIBITOR LILLY ICOS LLC (US) 2001-11-01 WO claimed
EP-1276481-A2 DAILY TREATMENT FOR ERECTILE DYSFUNCTION USING A PDE5 INHIBITOR Lilly Icos LLC (US) 2003-01-22 EP disclosed
WO-2001080860-A2 DAILY TREATMENT FOR ERECTILE DYSFUNCTION USING A PDE5 INHIBITOR LILLY ICOS LLC (US) 2001-11-01 WO disclosed