SCHEMBL8944873

SCHEMBL8944873

CCCCc1nc2ccc(N(C)C)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.57
AGTR2 P50052 2/20 0.57
PPARG P37231 8/20 0.54

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
SCHEMBL9095466 0.89 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8944684 0.89 PPARG (0.51) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8394597 0.88 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL8392609 0.88 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8944551 0.88 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9097109 0.86 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8396455 0.85 AGTR2 (0.57) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9040536 0.83 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL8944678 0.83 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL8944562 0.83 AGTR1 (0.51) 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