SCHEMBL8701616

SCHEMBL8701616

CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.54
AGTR1 P30556 4/20 0.52

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
SCHEMBL8088442 0.89 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL8094878 0.88 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL8709031 0.87 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL8708854 0.85 AGTR1 (0.50) AGTR2AGTR1
SCHEMBL8088528 0.76
SCHEMBL8092915 0.76 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL8083218 0.76 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL8094791 0.75 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL8094963 0.75 AGTR2 (0.68) AGTR2AGTR1
SCHEMBL8092760 0.75 AGTR2 (0.65) 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-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