SCHEMBL30199879

SCHEMBL30199879

CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1-c1nc(=S)c2c([nH]1)c(CCC)nn2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.55
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
PDE2A O00408 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCC5 O15440 1/20 0.52
PDE6D O43924 1/20 0.52
PDE8A O60658 1/20 0.52
PDE9A O76083 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
PDE6A P16499 1/20 0.52
PDE6G P18545 1/20 0.52
PDE4A P27815 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE6B P35913 1/20 0.52
PDE6C P51160 1/20 0.52

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
SCHEMBL29707547 0.95 PDE5A (0.58) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL29904531 0.95 PDE5A (0.58) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452865 0.89 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452873 0.89 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30848723 0.88 PDE5A (0.67) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL18073972 0.87 PDE5A (0.60) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL28891471 0.86 PDE5A (0.73) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5450704 0.83 PDE5A (0.54) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5450699 0.83 PDE5A (0.54) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5450729 0.83 PDE5A (0.66) PDE5APDE3BPDE3APDE2AABCC4

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