SCHEMBL7018191

SCHEMBL7018191

CCc1nc2nc(C(=O)OC)cc(C)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.57
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9597257 0.89 ADORA1 (0.57) ADORA1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7387472 0.84 ADORA1 (0.62) ADORA1TP53ADORA3ADORA2ANOS1
Hydrochloric Acid SCHEMBL9597611 0.83 ADORA1 (0.60) ADORA1TP53ADORA3ADORA2ANOS1
SCHEMBL6300995 0.82 KDM4E (0.44) ADORA1GABRA1GABRA5GABRA3GABRA2
SCHEMBL3220742 0.79 GABRP (0.41) ADORA1GABRA1GABRA5GABRA3GABRA2
SCHEMBL5091129 0.74 ADORA1 (1.00) ADORA1KDM4EALDH1A1LMNAMAPT
SCHEMBL7383935 0.73 ADORA1 (0.48) ADORA1KDM4EALDH1A1LMNAMAPT
SCHEMBL8640873 0.73 ADORA1 (0.68) ADORA1ADORA3ADORA2ANOS1NOS2
SCHEMBL3217333 0.71 ADORA1 (0.70) ADORA1KDM4EADORA3ADORA2ANOS1
SCHEMBL3210466 0.71 ADORA1 (0.70) ADORA1TP53ADORA3ADORA2ANOS1

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 15 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-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
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5412097-A Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 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
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 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
US-5151435-A Hypotensive agents, glaucoma and cognition activators MERCK & CO., INC. (US) 1992-09-29 US disclosed
EP-0503838-A2 Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists MERCK & CO. INC. (US) 1992-09-16 EP disclosed