SCHEMBL7016554

SCHEMBL7016554

CNC(=O)NNC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.56
CHRNB4 P30926 4/20 0.56
CHRNA3 P32297 4/20 0.56
CHRNA4 P43681 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BCAT2 O15382 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL27577620 0.88 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL3223294 0.84 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL3911585 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL15472559 0.77 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL27980137 0.77 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL5665012 0.77 ALDH1A1 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL10775382 0.76 POLB (0.52) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL29473289 0.76 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28044689 0.75 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL1895539 0.75 MAPT (0.52) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1

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 7 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-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