SCHEMBL9707869

SCHEMBL9707869

CC(c1ccccc1)n1c(=O)c2c(nc(CC(C)(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C(C)c2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36

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
SCHEMBL9708821 0.96 AGTR1 (0.36) AGTR1
SCHEMBL9708248 0.95 AGTR1 (0.36) AGTR1
SCHEMBL9707627 0.94 TSHR (0.40)
SCHEMBL9708380 0.94 TSHR (0.40)
SCHEMBL9708595 0.93
SCHEMBL9707493 0.93
SCHEMBL9708808 0.93 AGTR1 (0.35) AGTR1
SCHEMBL9707970 0.93 ADORA3 (0.36) AGTR1
SCHEMBL9708621 0.93 AGTR1 (0.35) AGTR1
SCHEMBL9707526 0.92 ADORA3 (0.37) AGTR1

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed