SCHEMBL6608520

SCHEMBL6608520

CCC[N+](C)(c1ccc(-c2ccccc2C(=N)NO)cc1)c1nn(C)cc1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 3/20 0.39
DHODH Q02127 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TBXAS1 P24557 1/20 0.34
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CLK1 P49759 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8549892 0.83 LMNA (0.36) TSHRTBXAS1ALDH1A1LMNAHPGD
SCHEMBL8944162 0.77 AGTR1 (0.54)
SCHEMBL8548779 0.76 LTB4R2 (0.48) JMJD6
SCHEMBL8944158 0.73 JMJD6 (0.39) JMJD6TSHRMAPK1NPSR1
SCHEMBL6610015 0.67 AGTR1 (0.53)
SCHEMBL8944455 0.67 AGTR1 (0.43) ALDH1A1
SCHEMBL6604865 0.67 AGTR1 (0.43)
SCHEMBL8944450 0.66 LMNA (0.39) NPSR1ALDH1A1LMNAHPGDHSD17B10
SCHEMBL6607280 0.65 AGTR1 (0.56)
SCHEMBL17998734 0.65 AGTR2 (0.57) MAPK1TBXAS1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed