SCHEMBL18073972

SCHEMBL18073972

CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4C[C@@H](C)N[C@@H](C)C4)ccc3OCC)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.60
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60
PDE2A O00408 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCC5 O15440 1/20 0.60
PDE6D O43924 1/20 0.60
PDE8A O60658 1/20 0.60
PDE9A O76083 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
PDE6A P16499 1/20 0.60
PDE6G P18545 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE6B P35913 1/20 0.60
PDE6C P51160 1/20 0.60

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 0.92 PDE5A (0.58) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL29904531 0.92 PDE5A (0.58) PDE5APDE3BPDE3APDE2AABCC4
Sildenafil SCHEMBL492566 0.88 PDE5A (0.77) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL29394704 0.88 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30434848 0.88 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6497379 0.88 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6497382 0.88 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL25925162 0.88 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL19518061 0.87 PDE5A (0.77) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30199879 0.87 PDE5A (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3267986-B1 PDE5 INHIBITORS FOR USE IN REDUCING RENAL CYST SIZE AND/OR PREVENTING RENAL CYST GROWTH UNIV INDIANA RES & TECH CORP (US) 2022-09-14 EP disclosed
CN-107847462-B Targeting cGMP-related phosphodiesterases to reduce cyst formation of cystic kidney disease and related materials and methods 美国印第安纳大学研究和技术公司 2021-08-10 CN disclosed
US-10456404-B2 Targeting cGMP-related phosphodiesterases to reduce cyst formation in cystic kidney disease, and related materials and methods INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-10-29 US disclosed
US-20180078559-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY COPORATION (US) 2018-03-22 US disclosed
EP-3267986-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS Indiana University Research&Technology Corporation (US) 2018-01-17 EP disclosed
WO-2016149218-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-09-22 WO disclosed