SCHEMBL8505253

SCHEMBL8505253

CCCCc1cc(-n2c(C)nc3cccc(C(=O)OCOC(=O)C(C)(C)C)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL8502175 0.88 ALOX15 (0.34) MAPTLMNAALOX15AGTR1AGTR2
SCHEMBL8417656 0.87 ALOX15 (0.34) ALOX15
SCHEMBL8505356 0.86 AGTR2 (0.35) AGTR2
SCHEMBL8419566 0.80 ALOX15 (0.37) MAPTLMNAALOX15AGTR1AGTR2
SCHEMBL8419294 0.80 ALOX15 (0.35) MAPTLMNAALOX15AGTR1AGTR2
SCHEMBL8419277 0.80 ALOX15 (0.36) ALOX15AGTR1AGTR2
SCHEMBL8417855 0.80 ALOX15 (0.36) MAPTLMNAALOX15AGTR1AGTR2
SCHEMBL8633519 0.79 ALOX15 (0.42) MAPTALOX15AGTR1AGTR2
SCHEMBL8419183 0.79 ALOX15 (0.41) MAPTLMNAALOX15AGTR2
SCHEMBL8417957 0.79 ALOX15 (0.41) MAPTLMNAALOX15AGTR1AGTR2

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-5889036-A ADMINISTERING 2-ETHOXY-1-((2'-(4,5-DIHYDRO-5-OXO-1,2,4-OXADIAZOL-3-YL)-BIPHE NYL)METHYL-1H-BENZIMIDAZOL-7-CARBOXYLIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5763619-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS OR STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed