SCHEMBL9707930

SCHEMBL9707930

CCCc1nc2c(c(=O)n(-c3ccccc3)c(=O)n2-c2ccccc2)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.39
AGTR1 P30556 5/20 0.39

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
SCHEMBL9708148 0.92 AGTR1 (0.45) AGTR2AGTR1
SCHEMBL9707668 0.90 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL9707674 0.90 ADORA3 (0.36) AGTR2AGTR1
SCHEMBL9708236 0.87 AGTR1 (0.50) AGTR2AGTR1
SCHEMBL9707750 0.87 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL9707723 0.87 ALOX15 (0.48)
SCHEMBL9708016 0.86 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL9708187 0.85 ALDH1A1 (0.45) AGTR2AGTR1
SCHEMBL9707690 0.85 ALDH1A1 (0.45) AGTR2AGTR1
SCHEMBL9708352 0.85 AGTR1 (0.44) AGTR2AGTR1

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