SCHEMBL7019803

SCHEMBL7019803

CCOC(=O)ONC(=N)c1ccccc1-c1ccc(N(C)c2c(N)cccc2C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.41
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
CDC25B P30305 2/20 0.35
LMNA P02545 2/20 0.35
SLC6A2 P23975 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCZ Q05513 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL3976382 0.84 SLC6A3 (0.53) LTB4R2SLC6A3SLC6A4PDCD1CD274
SCHEMBL7012590 0.81 SLC6A3 (0.47) LTB4R2SLC6A3SLC6A4PDCD1CD274
SCHEMBL7019801 0.80 BDKRB1 (0.42) LTB4R2SLC6A3SLC6A4PDCD1CD274
SCHEMBL27321835 0.79 ALDH1A1 (0.47) SLC6A3SLC6A4PDCD1CD274ALDH1A1
SCHEMBL2879759 0.75 ALDH1A1 (0.43) LTB4R2SLC6A3SLC6A4ALDH1A1HSD17B10
SCHEMBL30443795 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CDC25BLMNAPRKCI
SCHEMBL29024296 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CDC25BLMNAPRKCI
SCHEMBL28051503 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10CDC25BSCN1ASCN2A
SCHEMBL8364724 0.70 PDCD1 (0.39) LTB4R2SLC6A3SLC6A4PDCD1CD274
SCHEMBL7019189 0.70 AGTR2 (0.57) LTB4R2SLC6A3HSD17B10SLC6A2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed