SCHEMBL29655362

SCHEMBL29655362

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.75
PDE1A P54750 8/20 0.75
PDE1B Q01064 8/20 0.75
PDE1C Q14123 8/20 0.75
PDE4B Q07343 2/20 0.75
PDE6A P16499 2/20 0.73
PDE2A O00408 1/20 0.73
PDE6D O43924 1/20 0.73
PDE9A O76083 1/20 0.73
CHRM2 P08172 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
PDE6G P18545 1/20 0.73
MAOA P21397 1/20 0.73
PDE4A P27815 1/20 0.73
ADORA1 P30542 1/20 0.73
ADRA1A P35348 1/20 0.73
PDE6B P35913 1/20 0.73
PDE6C P51160 1/20 0.73
SLC6A3 Q01959 1/20 0.73
PDE4C Q08493 1/20 0.73

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
SCHEMBL5307 1.00 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6340102 0.94 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL974554 0.94 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6330112 0.93 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6332643 0.93 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6334314 0.93 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8220166 0.92 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5931959 0.91 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL30594464 0.91 PDE5A (0.75) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL29663760 0.91 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN disclosed
EP-4259634-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR Ildong Pharmaceutical Co., Ltd. (KR) 2023-10-18 EP disclosed
EP-4058457-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-21 EP disclosed
WO-2022123310-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-06-16 WO disclosed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed