SCHEMBL9708703

SCHEMBL9708703

CCCc1nc2c(c(=O)n(CC(=O)OC)c(=O)n2C(C)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
PPARG P37231 2/20 0.42

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
SCHEMBL9707941 0.96 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9707968 0.95 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9708474 0.95 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9708778 0.94 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9708104 0.93 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9707694 0.91 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9707587 0.90 KMT2A (0.39) AGTR1AGTR2PPARG
SCHEMBL9708129 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707545 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9708464 0.90 KMT2A (0.39) AGTR1AGTR2PPARG

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