SCHEMBL9328849

SCHEMBL9328849

CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.64
AGTR2 P50052 3/20 0.64

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
SCHEMBL7171699 0.94 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9327669 0.93 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL62 0.92 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL5138819 0.91 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL8514398 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL10533864 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6536063 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7175115 0.87 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL7998832 0.86 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL6536653 0.86 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584250-A4 1994-03-30 EP claimed
EP-0584250-A1 NOVEL COMPOSITION OF ANGIOTENSIN-II RECEPTOR ANTAGONISTS AND CALCIUM CHANNEL BLOCKERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-03-02 EP claimed
WO-1992020342-A1 NOVEL COMPOSITION OF ANGIOTENSIN-II RECEPTOR ANTAGONISTS AND CALCIUM CHANNEL BLOCKERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO claimed
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 claimed