SCHEMBL9708129

SCHEMBL9708129

CCCc1nc2c(c(=O)n(CC)c(=O)n2C(C)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42

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
SCHEMBL9708453 0.95 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708403 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9708007 0.95 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707527 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708844 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707623 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707574 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708075 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707952 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707493 0.91

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