SCHEMBL30199753

SCHEMBL30199753

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.85
PDE6C P51160 3/20 0.85
PDE3B Q13370 3/20 0.68
PDE3A Q14432 3/20 0.68
PDE1A P54750 2/20 0.68
PDE1B Q01064 2/20 0.68
PDE1C Q14123 2/20 0.68
ABCC4 O15439 2/20 0.68
PDE2A O00408 1/20 0.68
ABCC5 O15440 1/20 0.68
PDE6D O43924 1/20 0.68
PDE8A O60658 1/20 0.68
PDE9A O76083 1/20 0.68
ABCB11 O95342 1/20 0.68
CYP3A4 P08684 1/20 0.68
HTR1A P08908 1/20 0.68
PDE6A P16499 1/20 0.68
PDE6G P18545 1/20 0.68
PDE4A P27815 1/20 0.68
ADORA2A P29274 1/20 0.68

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
SCHEMBL25013469 1.00 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL29357402 0.95 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL2693448 0.95 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7959160 0.94 PDE5A (0.77) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28482244 0.94 PDE5A (0.83) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7964961 0.94 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28417929 0.93 PDE5A (0.82) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7920627 0.93 PDE5A (0.82) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7965731 0.93 PDE5A (0.84) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL147337 0.92 PDE5A (1.00) 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 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