SCHEMBL8391306

SCHEMBL8391306

CCCCc1nc2cccc(C#N)c2n1Cc1ccc(-c2ccccc2C(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.54
AGTR1 P30556 2/20 0.54
PPARG P37231 5/20 0.51

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
SCHEMBL8395042 0.91 AGTR2 (0.57) AGTR2AGTR1PPARG
SCHEMBL9043500 0.89 PPARG (0.46) AGTR2AGTR1PPARG
SCHEMBL8392563 0.89 AGTR2 (0.66) AGTR2AGTR1PPARG
SCHEMBL8395396 0.87 AGTR2 (0.55) AGTR2AGTR1PPARG
SCHEMBL8393568 0.85 AGTR2 (0.70) AGTR2AGTR1PPARG
SCHEMBL8394992 0.84 PPARG (0.73) AGTR2AGTR1PPARG
SCHEMBL8392336 0.83 AGTR2 (0.55) AGTR2AGTR1PPARG
SCHEMBL8392468 0.81 PPARG (0.71) AGTR2AGTR1PPARG
SCHEMBL8393563 0.81 PPARG (0.60) AGTR2AGTR1PPARG
SCHEMBL8396933 0.81 PPARG (0.60) AGTR2AGTR1PPARG

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed