SCHEMBL9707697

SCHEMBL9707697

CCCc1nc2c(c(=O)n(CC(=O)OC)c(=O)n2CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.49
AGTR2 P50052 5/20 0.49
PPARG P37231 3/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9708076 0.97 AGTR1 (0.48) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707282 0.95 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9708107 0.95 AGTR1 (0.47) AGTR1AGTR2PPARGKMT2A
SCHEMBL9708705 0.95 AGTR1 (0.47) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707410 0.95 AGTR1 (0.53) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707682 0.94 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9707687 0.94 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9708480 0.94 AGTR1 (0.46) AGTR1AGTR2PPARGKMT2A
SCHEMBL9708365 0.94 AGTR1 (0.48) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707263 0.94 AGTR1 (0.46) AGTR1AGTR2PPARGKMT2A

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