SCHEMBL8395308

SCHEMBL8395308

CCCCc1nc2ccc(C(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.67
AGTR2 P50052 2/20 0.67
PPARG P37231 2/20 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
SCHEMBL8944346 0.92 AGTR2 (0.67) AGTR1AGTR2
SCHEMBL8392138 0.92 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL8944781 0.92 AGTR1 (0.64) AGTR1AGTR2PPARG
SCHEMBL9041882 0.91 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL8395922 0.90 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL8393396 0.89 AGTR1 (0.84) AGTR1AGTR2
SCHEMBL8392186 0.88 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8392213 0.86 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9040681 0.86 AGTR1 (0.64) AGTR1AGTR2PPARG
SCHEMBL9040791 0.85 AGTR2 (0.58) AGTR1AGTR2

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed