SCHEMBL7008730

SCHEMBL7008730

COC(=O)c1cccc(N)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
CFTR P13569 1/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
MAPK1 P28482 1/20 0.41
BDKRB1 P46663 2/20 0.41
MME P08473 1/20 0.40
ESR2 Q92731 1/20 0.40
HPGD P15428 2/20 0.40
ADORA2A P29274 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 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
SCHEMBL9193429 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAFFAR1
SCHEMBL2927336 0.83 BDKRB1 (0.49) ALDH1A1HSD17B10CFTRKDM4EFFAR1
SCHEMBL28386667 0.80 FFAR1 (0.47) ALDH1A1HSD17B10FFAR1AKR1B1MAPK1
SCHEMBL2873886 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10CFTRKDM4EFFAR1
SCHEMBL2879759 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL30660078 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAFFAR1
SCHEMBL3982628 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAFFAR1
SCHEMBL2598198 0.74 BDKRB1 (0.47) ALDH1A1KDM4EFFAR1AKR1B1MAPK1
SCHEMBL31722799 0.74 BDKRB1 (0.47) ALDH1A1KDM4EFFAR1AKR1B1MAPK1
SCHEMBL8417438 0.74 MAPT (0.39) ALDH1A1HSD17B10KDM4ELMNAFFAR1

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 8 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-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