SCHEMBL9707522

SCHEMBL9707522

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.44
AGTR2 P50052 8/20 0.44

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
SCHEMBL9707405 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708367 0.94 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9707641 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708518 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708528 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707860 0.90 ADORA2B (0.40) AGTR1AGTR2
SCHEMBL9707424 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708425 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708252 0.88 ADORA3 (0.42) AGTR1AGTR2
SCHEMBL9707736 0.88 ADORA3 (0.42)

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