SCHEMBL9707858

SCHEMBL9707858

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.48
AGTR2 P50052 6/20 0.48
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
SCHEMBL9707528 0.96 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9708078 0.95 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9708120 0.93 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9708805 0.93 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9707473 0.92 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9707981 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9708651 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707913 0.91 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9707454 0.91 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9708285 0.91 AGTR1 (0.48) 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