SCHEMBL8944370

SCHEMBL8944370

CC=CCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.62
AGTR2 P50052 1/20 0.62
PPARG P37231 4/20 0.41

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
SCHEMBL8944466 0.89 AGTR1 (0.79) AGTR1AGTR2
SCHEMBL8944555 0.86 PPARG (0.44) AGTR1AGTR2PPARG
SCHEMBL8944326 0.84 AGTR1 (0.71) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8391416 0.79 AGTR1 (0.92) AGTR1AGTR2
SCHEMBL8392287 0.79 AGTR1 (0.82) AGTR1AGTR2
SCHEMBL8393851 0.77 AGTR1 (0.61) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8393332 0.77 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL6567316 0.77 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL8393599 0.77 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL8944790 0.76 AGTR1 (0.57) 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