SCHEMBL8944678

SCHEMBL8944678

CCCCCCNC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4C(=O)OC(=O)C(F)(F)F)cc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58
AGTR2 P50052 2/20 0.58
PPARG P37231 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
SCHEMBL8944790 0.91 AGTR1 (0.57) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8391529 0.90 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL8391509 0.90 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL8944551 0.88 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8393484 0.87 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL8944466 0.87 AGTR1 (0.79) AGTR1AGTR2
SCHEMBL8393233 0.87 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8944684 0.86 PPARG (0.51) AGTR1AGTR2PPARG
Water SCHEMBL9096313 0.86 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8944603 0.85 AGTR1 (0.72) AGTR1AGTR2PPARG

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