SCHEMBL8944569

SCHEMBL8944569

CCCCc1nc2ccc(NC(=O)C3CC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.77
AGTR2 P50052 2/20 0.77
PPARG P37231 2/20 0.65

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
SCHEMBL8392429 0.97 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL8392974 0.96 AGTR1 (0.81) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9097101 0.91 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8393932 0.90 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL8944599 0.90 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL8395729 0.90 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8393701 0.89 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL8396745 0.89 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL8944721 0.88 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL7053372 0.88 AGTR1 (0.73) 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