SCHEMBL8709031

SCHEMBL8709031

CCCCc1nc2c(=O)[nH]ccc2n1Cc1ccc(Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL8092915 0.89 AGTR2 (0.48) AGTR1AGTR2
SCHEMBL8088528 0.88
SCHEMBL8701616 0.87 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL8708854 0.77 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8094878 0.76 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL8088442 0.76 AGTR2 (0.65) AGTR1AGTR2
SCHEMBL8089466 0.75 TLR7 (0.52) AGTR1AGTR2TLR7
SCHEMBL8092916 0.74 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8092218 0.73 AGTR2 (0.60) AGTR1AGTR2
SCHEMBL8089387 0.72 AGTR2 (0.62) AGTR1AGTR2TLR7

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-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed