SCHEMBL9707749

SCHEMBL9707749

COC(=O)Cn1c(=O)n(C(C)c2ccccc2)c(=O)c2c1nc(C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
PPARG P37231 3/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL9707587 0.94 KMT2A (0.39) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707911 0.92 PPARG (0.38) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707855 0.92 AGTR1 (0.39) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707455 0.92 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9708474 0.90 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9708688 0.90 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9707694 0.89 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9708749 0.89 KMT2A (0.44) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707545 0.89 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9707539 0.88 AGTR1 (0.40) 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