Sugi Predict

Sugi Predict / Compounds / SCHEMBL9399295

SCHEMBL9399295

SCHEMBL9399295

CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.78
▸ AGTR2 P50052 3/20 0.78

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
SCHEMBL9375550 0.95 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9374109 0.92 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL9399216 0.91 AGTR2 (0.79) AGTR1AGTR2
SCHEMBL9399579 0.90 AGTR1 (0.81) AGTR1AGTR2
SCHEMBL9377635 0.89 AGTR1 (0.87) AGTR1AGTR2
SCHEMBL29486807 0.89 AGTR1 (0.87) AGTR1AGTR2
SCHEMBL9142882 0.89 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9399232 0.87 AGTR2 (1.00) AGTR1AGTR2
SCHEMBL9399051 0.87 AGTR1 (0.59) AGTR1
SCHEMBL9373594 0.86 AGTR1 (0.76) 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 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