SCHEMBL9707624

SCHEMBL9707624

CCc1nc2[nH]c(=O)n(CC(=O)OC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46
PPARG P37231 3/20 0.42
KMT2A Q03164 1/20 0.39

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
SCHEMBL9708462 0.94 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9708766 0.92 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9708592 0.92 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9707753 0.92 AGTR1 (0.43) AGTR1AGTR2PPARGKMT2A
SCHEMBL9708271 0.90 AGTR1 (0.42) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707904 0.89 AGTR1 (0.45) AGTR1AGTR2KMT2A
SCHEMBL9708525 0.89 TPH2 (0.47) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707560 0.88 PPARG (0.42) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707572 0.88 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9708079 0.88 AGTR1 (0.44) 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