SCHEMBL549

SCHEMBL549

CCCC(Br)c1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.45
AGTR2 P50052 2/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GP6 Q9HCN6 1/20 0.42

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
SCHEMBL423 0.91 AGTR1 (0.43) AGTR1AGTR2GP6
SCHEMBL9684086 0.87 SLC6A4 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL9683640 0.82 GP6 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL359 0.81 GP6 (0.63) AGTR1AGTR2GP6
SCHEMBL417 0.79 SLC6A4 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL419 0.79 SLC6A4 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL9683629 0.78 SLC6A4 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL418 0.78 SLC6A4 (0.46) AGTR1AGTR2SLC6A4SLC6A3GP6
SCHEMBL9123848 0.75 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL4544027 0.73 NPBWR1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed