SCHEMBL7019558

SCHEMBL7019558

CCCc1n[nH]c2c(=O)[nH]c(Cc3cc(C(=O)N4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
KMT2A Q03164 1/20 0.41
LRRK2 Q5S007 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
PDE5A O76074 4/20 0.39
PDE6C P51160 3/20 0.39
MGLL Q99685 1/20 0.38
MAPT P10636 1/20 0.38
PDE2A O00408 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCC5 O15440 1/20 0.38
PDE6D O43924 1/20 0.38
PDE8A O60658 1/20 0.38
PDE9A O76083 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL17333641 0.84 PDE5A (0.47) KMT2APDE5APDE6CMAPTPDE2A
SCHEMBL3671939 0.82 PDE5A (0.55) PDE5APDE6CPDE2AABCC4ABCC5
SCHEMBL5085823 0.82 PDE5A (0.56) KMT2APDE5APDE6CMAPTPDE9A
SCHEMBL7019550 0.79 PDE5A (0.46) KMT2ALRRK2NPSR1PDE5APDE6C
SCHEMBL6433453 0.79 NPSR1 (0.43) PARP1KMT2ALRRK2NPSR1PDE5A
SCHEMBL16972452 0.77 PDE1A (0.48) KMT2APDE5APDE6CMAPTPDE2A
SCHEMBL7085453 0.77 PDE5A (0.36) KMT2APDE5APDE6CPDE2AABCC4
SCHEMBL5990273 0.77 PDE5A (0.50) PARP1KMT2APDE5APDE6CMAPT
SCHEMBL4653201 0.75 PDE5A (0.47) PDE5APDE6CPDE2AABCC4ABCC5
SCHEMBL14685955 0.75 KDM4E (0.41) KMT2APDE5APDE6CPDE2AABCC5

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