SCHEMBL9708752

SCHEMBL9708752

CCCc1nc2[nH]c(=O)[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.51
AGTR2 P50052 10/20 0.51

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
SCHEMBL9708101 0.95 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9707513 0.94 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707628 0.93 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9708173 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707720 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707783 0.86 PPARG (0.44) AGTR1AGTR2
SCHEMBL9708518 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708425 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708528 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9707797 0.85 DPP4 (0.41) 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