SCHEMBL9401976

SCHEMBL9401976

CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.52
AGTR2 P50052 4/20 0.52
PPARG P37231 2/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL9843949 0.90 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9843777 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9844033 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7014756 0.85 PPARG (0.50) AGTR1AGTR2PPARGKCNH2
SCHEMBL9843791 0.84 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL13474406 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8886996 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9843702 0.83 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8887391 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9025218 0.83 AGTR1 (0.57) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP claimed
US-5304565-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5100897-A Hypotensive agents, congestive heart failure, ocular hypertension MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed
EP-0419048-A2 Substituted pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1991-03-27 EP disclosed
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed