SCHEMBL9708417

SCHEMBL9708417

CCCCc1nc2c(c(=O)[nH]c(=O)n2CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.53
AGTR1 P30556 9/20 0.53
PPARG P37231 3/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9708081 0.98 AGTR1 (0.51) AGTR2AGTR1PPARGMEN1KMT2A
SCHEMBL9708175 0.95 AGTR1 (0.48) AGTR2AGTR1PPARGMEN1KMT2A
SCHEMBL9708525 0.92 TPH2 (0.47) AGTR2AGTR1PPARGMEN1KMT2A
SCHEMBL9708426 0.90 MEN1 (0.53) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708766 0.90 AGTR1 (0.55) AGTR2AGTR1PPARG
SCHEMBL9707282 0.90 AGTR1 (0.55) AGTR2AGTR1PPARG
SCHEMBL9707286 0.89 AGTR1 (0.50) AGTR2AGTR1MEN1KMT2A
SCHEMBL9707594 0.89 AGTR1 (0.47) AGTR2AGTR1PPARGMEN1KMT2A
SCHEMBL9708313 0.89 MEN1 (0.44) AGTR2AGTR1PPARGMEN1KMT2A
SCHEMBL9707393 0.88 AGTR1 (0.54) AGTR2AGTR1PPARG

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