SCHEMBL9708518

SCHEMBL9708518

CCCc1nc2[nH]c(=O)n(CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.46
AGTR2 P50052 9/20 0.46

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
SCHEMBL9708406 0.95 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9707626 0.94 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9708528 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707904 0.93 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9707424 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9707522 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708425 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707960 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708254 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9708103 0.90 ADORA2B (0.40) 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