SCHEMBL9399216

SCHEMBL9399216

CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 18/20 0.79
AGTR1 P30556 17/20 0.79

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
SCHEMBL9399652 0.92 AGTR1 (0.79) AGTR2AGTR1
SCHEMBL9399295 0.91 AGTR1 (0.78) AGTR2AGTR1
SCHEMBL9399086 0.91 AGTR2 (0.83) AGTR2AGTR1
SCHEMBL9398904 0.90 AGTR2 (0.82) AGTR2AGTR1
SCHEMBL9143446 0.89 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL9145861 0.89 AGTR1 (0.79) AGTR2AGTR1
SCHEMBL9399159 0.89 AGTR2 (0.85) AGTR2AGTR1
SCHEMBL9399454 0.88 AGTR2 (0.90) AGTR2AGTR1
SCHEMBL9400072 0.88 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL9399453 0.87 AGTR2 (0.91) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 US disclosed