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Sugi Predict / Compounds / SCHEMBL8092916

SCHEMBL8092916

SCHEMBL8092916

CCCCc1nc2c(=O)n(Cc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3)ccc2n1Cc1ccc(-c2ccccc2NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.45
▸ AGTR2 P50052 3/20 0.45
▸ PPARG P37231 1/20 0.44

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
SCHEMBL8088527 0.87 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL8092915 0.85 AGTR2 (0.48) AGTR1AGTR2PPARG
SCHEMBL8088546 0.82 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8700621 0.81 PPARG (0.59) AGTR1AGTR2PPARG
SCHEMBL8394915 0.80 EDNRA (0.54) AGTR1AGTR2
SCHEMBL8944669 0.79 — —
SCHEMBL8092763 0.79 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8089287 0.79 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL8129171 0.78 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8088442 0.77 AGTR2 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 — — US disclosed
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