SCHEMBL8395017

SCHEMBL8395017

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.58
AGTR1 P30556 2/20 0.58
PPARG P37231 6/20 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
SCHEMBL8396230 0.91 AGTR2 (0.67) AGTR2AGTR1PPARG
SCHEMBL8395396 0.91 AGTR2 (0.55) AGTR2AGTR1PPARG
SCHEMBL9040902 0.89 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL8393293 0.88 AGTR2 (0.72) AGTR2AGTR1PPARG
SCHEMBL8391387 0.88 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL8393408 0.87 AGTR2 (0.53) AGTR2AGTR1PPARG
SCHEMBL8395042 0.86 AGTR2 (0.57) AGTR2AGTR1PPARG
SCHEMBL8396220 0.86 AGTR1 (0.77) AGTR2AGTR1PPARG
SCHEMBL8392643 0.84 AGTR2 (0.56) AGTR2AGTR1PPARG
SCHEMBL8396783 0.84 PPARG (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed