SCHEMBL9707713

SCHEMBL9707713

CCc1nc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.43
AGTR2 P50052 11/20 0.43

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
SCHEMBL9707897 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9707621 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9708402 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707610 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9708094 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9707844 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9707904 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9707975 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707370 0.87 PPARG (0.36) AGTR1AGTR2
SCHEMBL9708079 0.87 AGTR1 (0.44) 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