SCHEMBL9707781

SCHEMBL9707781

CCCCc1nc2c(c(=O)n(CC(C)C)c(=O)n2CC2CC2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.49
AGTR2 P50052 9/20 0.49

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
SCHEMBL9708260 0.98 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708183 0.94 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9708205 0.93 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9708707 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708745 0.92 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9708674 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9707853 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9708563 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707958 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708568 0.91 AGTR1 (0.48) 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