SCHEMBL8364724

SCHEMBL8364724

CCOC(=O)ONC(=N)c1ccccc1-c1ccc(-n2c(OCC)nc3c(C)ccc(C(=O)OC)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
AGTR1 P30556 3/20 0.35
POLB P06746 1/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A4 P31645 3/20 0.35
LMNA P02545 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAP4K1 Q92918 1/20 0.34
AGTR2 P50052 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
SCHEMBL8362030 0.90 PDCD1 (0.39) PDCD1CD274AGTR1SLC6A3SLC6A4
SCHEMBL8532947 0.83 PDCD1 (0.36) PDCD1CD274AGTR1POLBSLC6A3
SCHEMBL8362109 0.80 PPARG (0.43) AGTR1AGTR2
SCHEMBL8359346 0.79 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8357510 0.78 AGTR2 (0.37) PDCD1CD274AGTR1POLBLMNA
SCHEMBL7019189 0.78 AGTR2 (0.57) AGTR1SLC6A3LTB4R2SLC6A2AGTR2
SCHEMBL8417421 0.77 AGTR1 (0.34) PDCD1CD274AGTR1LTB4R2SLC6A2
SCHEMBL8587441 0.77 AGTR2 (0.35) PDCD1CD274AGTR1POLBSLC6A3
SCHEMBL8357459 0.77 AGTR2 (0.36) PDCD1CD274POLBLMNAAGTR2
SCHEMBL8536331 0.76 AGTR1 (0.42) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed