SCHEMBL9707652

SCHEMBL9707652

CCCCc1nc2c(c(=O)n(CCc3ccccc3)c(=O)n2CCOC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.47
AGTR2 P50052 9/20 0.47

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
SCHEMBL9707875 1.00 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707934 0.98 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9708045 0.96 ADORA3 (0.42) AGTR1AGTR2
SCHEMBL9707761 0.96 ADORA3 (0.42) AGTR1AGTR2
SCHEMBL9708055 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707397 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707432 0.95 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707987 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707912 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708141 0.93 AGTR1 (0.50) 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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed