SCHEMBL7018778

SCHEMBL7018778

CCOC(=O)Oc1nc(-c2ccccc2-c2ccc(Cn3c(SCC)nc4c(C)sc(C(=O)OC)c43)cc2)n(C)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
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
SCHEMBL7018118 0.82 TP53 (0.37) AGTR1TP53RXFP1
SCHEMBL9302576 0.82 AGTR1 (0.35) AGTR1TP53RXFP1AGTR2
SCHEMBL7016159 0.82 AGTR1 (0.40) AGTR1TP53KDM4EALDH1A1AGTR2
SCHEMBL9032306 0.81 PPARG (0.42) AGTR1KDM4EALDH1A1AGTR2
SCHEMBL7012096 0.81 AGTR1 (0.41) AGTR1
SCHEMBL9032973 0.80 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7016142 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7016402 0.79 AGTR1 (0.39) AGTR1TP53
SCHEMBL7012387 0.79 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL683666 0.78 PPARG (0.50) 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 4 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-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 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