SCHEMBL8080987

SCHEMBL8080987

CCCCc1nc(CNC(=O)OC)c(Cl)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCCn1c(Cc2ccc(-c3ccccc3C(=O)O)cc2)nc(CNC(=O)OCCC)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.54
AGTR2 P50052 1/20 0.54
MME P08473 1/20 0.51

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
SCHEMBL6534842 0.92 AGTR1 (0.63) AGTR1AGTR2MME
SCHEMBL6534661 0.90 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9558470 0.84 AGTR1 (0.52) AGTR1AGTR2MME
SCHEMBL74 0.82 AGTR1 (0.74) AGTR1AGTR2MME
SCHEMBL7367303 0.81 AGTR1 (0.63) AGTR1AGTR2MME
SCHEMBL6534771 0.80 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL465 0.79 AGTR1 (0.78) AGTR1AGTR2MME
SCHEMBL7311400 0.77 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL516 0.76 AGTR1 (0.75) AGTR1AGTR2MME
SCHEMBL7322206 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000508347-A 2000-07-04 JP claimed
EP-0966282-A1 USE OF ANGIOTENSIN II ANTAGONISTS TO TREAT SYMPTOMATIC HEART FAILURE Merck & Co., Inc. (US) 1999-12-29 EP claimed
WO-1998030216-A1 USE OF ANGIOTENSIN II ANTAGONISTS TO TREAT SYMPTOMATIC HEART FAILURE MERCK & CO., INC. (US) 1998-07-16 WO claimed
EP-0966282-A1 USE OF ANGIOTENSIN II ANTAGONISTS TO TREAT SYMPTOMATIC HEART FAILURE Merck & Co., Inc. (US) 1999-12-29 EP disclosed
WO-1998030216-A1 USE OF ANGIOTENSIN II ANTAGONISTS TO TREAT SYMPTOMATIC HEART FAILURE MERCK & CO., INC. (US) 1998-07-16 WO disclosed