SCHEMBL9707861

SCHEMBL9707861

CCCc1nc2c(c(=O)n(C(C)c3ccccc3)c(=O)n2CCC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.41
AGTR2 P50052 4/20 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
SCHEMBL9707649 0.96 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707603 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9708059 0.95 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9708844 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708007 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708250 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708736 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707295 0.92 ADORA3 (0.37) AGTR1AGTR2
SCHEMBL9707434 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707549 0.91 ADORA3 (0.39)

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