SCHEMBL30199894

SCHEMBL30199894

CCCc1nn(C)c2c(=S)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.75
PDE3B Q13370 4/20 0.65
PDE3A Q14432 4/20 0.65
PDE6A P16499 3/20 0.65
PDE2A O00408 2/20 0.65
PDE6D O43924 2/20 0.65
PDE9A O76083 2/20 0.65
PDE6G P18545 2/20 0.65
PDE4A P27815 2/20 0.65
ADORA1 P30542 2/20 0.65
ADRA1A P35348 2/20 0.65
PDE6B P35913 2/20 0.65
PDE6C P51160 2/20 0.65
PDE1A P54750 2/20 0.65
PDE1B Q01064 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
KCNH2 Q12809 2/20 0.65
CACNA1C Q13936 2/20 0.65

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
SCHEMBL30199978 0.94 PDE5A (0.74) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL29282029 0.93 PDE5A (0.76) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL19254528 0.92 PDE5A (0.78) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL6719179 0.88 PDE5A (0.84) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL30848723 0.88 PDE5A (0.67) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL30917340 0.87 KMT2A (0.59) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL29707547 0.87 PDE5A (0.58) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL29904531 0.87 PDE5A (0.58) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL29358004 0.86 PDE5A (1.00) PDE5APDE3BPDE3APDE6APDE2A
SCHEMBL17342850 0.86 PDE5A (1.00) PDE5APDE3BPDE3APDE6APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115598338-A Colloidal gold test strip for detecting PDE-5 inhibitor and preparation method and application thereof 广东省药品检验所(广东省药品质量研究所、广东省口岸药品检验所)(CN) 2023-01-13 CN disclosed