SCHEMBL9707610

SCHEMBL9707610

CC(C)(C)Cc1nc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.36
AGTR2 P50052 9/20 0.36
PPARG P37231 2/20 0.35

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
SCHEMBL9707713 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707897 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9707302 0.89 GPR18 (0.38) AGTR1AGTR2PPARG
SCHEMBL9708103 0.89 ADORA2B (0.40) AGTR1AGTR2
SCHEMBL9707621 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9707499 0.88 MEN1 (0.39) AGTR1AGTR2
SCHEMBL9708094 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9708402 0.87 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9708641 0.87 ADORA2B (0.42) AGTR1AGTR2
SCHEMBL9708221 0.87 MEN1 (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