SCHEMBL8359361

SCHEMBL8359361

CCCCc1cc(-n2c(C)nc3cccc(C(=O)OC)c32)ccc1-c1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.37
TLR8 Q9NR97 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
ALOX5AP P20292 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
SCHEMBL8356786 0.90 TSHR (0.42) TSHRAGTR1AGTR2POLBALOX15
SCHEMBL8364074 0.88 TSHR (0.42) TSHRTLR8AGTR1AGTR2POLB
SCHEMBL8361928 0.86 TSHR (0.38) TSHRTLR8AGTR1AGTR2POLB
SCHEMBL8359917 0.81 TSHR (0.36) TSHRPOLBALOX15
SCHEMBL8359640 0.80 TSHR (0.35) TSHRACHEPOLBALOX15
SCHEMBL8364566 0.79 TSHR (0.35) TSHRACHETLR8POLBALOX15
SCHEMBL9484870 0.79 TLR7 (0.43) TLR7
SCHEMBL8505253 0.75 MAPT (0.32) AGTR1AGTR2ALOX15
SCHEMBL8364350 0.73 TSHR (0.38) TSHRPOLBALOX15
SCHEMBL8505356 0.73 AGTR2 (0.35) AGTR2

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