SCHEMBL9708007

SCHEMBL9708007

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

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 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
SCHEMBL9708138 0.96 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708461 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9708129 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707861 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707527 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707574 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707526 0.92 ADORA3 (0.37) AGTR1AGTR2
SCHEMBL9708330 0.91 ADORA3 (0.39)
SCHEMBL9707893 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708075 0.91 AGTR1 (0.42) 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