SCHEMBL8944824

SCHEMBL8944824

CCCCc1nc2cccc(O)c2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.58
AGTR1 P30556 2/20 0.58
PPARG P37231 4/20 0.55

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
SCHEMBL8391727 0.91 AGTR2 (0.57) AGTR2AGTR1PPARG
SCHEMBL7015279 0.91 AGTR2 (0.57) AGTR2AGTR1PPARG
SCHEMBL8392643 0.90 AGTR2 (0.56) AGTR2AGTR1PPARG
SCHEMBL8392336 0.88 AGTR2 (0.55) AGTR2AGTR1PPARG
SCHEMBL8392990 0.88 AGTR1 (0.76) AGTR2AGTR1PPARG
SCHEMBL8396636 0.87 AGTR2 (0.75) AGTR2AGTR1PPARG
SCHEMBL8395706 0.87 AGTR2 (0.56) AGTR2AGTR1PPARG
SCHEMBL9040271 0.86 AGTR2 (0.52) AGTR2AGTR1
SCHEMBL8392507 0.86 PPARG (0.51) AGTR2AGTR1PPARG
SCHEMBL8391682 0.86 AGTR1 (0.58) 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 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