SCHEMBL9708769

SCHEMBL9708769

CCCCCc1nc2c(c(=O)n(C)c(=O)n2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46

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
SCHEMBL9708558 0.98 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9708187 0.94 ALDH1A1 (0.45) AGTR1AGTR2
SCHEMBL9707561 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708016 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708437 0.93 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707933 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708524 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707741 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9708236 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9707468 0.91 ALDH1A1 (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 2 patents. 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 claimed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed