SCHEMBL9707826

SCHEMBL9707826

CCc1nc2c(c(=O)n(CC)c(=O)n2C(C)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.41
AGTR2 P50052 8/20 0.41

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
SCHEMBL9708186 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708454 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708410 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707517 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707447 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707909 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708042 0.92 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9707440 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708362 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9707575 0.91 AGTR1 (0.37) 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