Sugi Predict

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SCHEMBL9707809

SCHEMBL9707809

CCc1nc2c(c(=O)n(CCOC)c(=O)n2CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 7/20 0.43
▸ AGTR2 P50052 7/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ PPARG P37231 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9708498 0.98 AGTR1 (0.43) AGTR1AGTR2KMT2APPARGALDH1A1
SCHEMBL9707682 0.94 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9707263 0.94 AGTR1 (0.46) AGTR1AGTR2KMT2APPARGADORA3
SCHEMBL9708210 0.93 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9708142 0.93 AGTR1 (0.45) AGTR1AGTR2KMT2APPARG
SCHEMBL9707892 0.92 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9708964 0.92 AGTR1 (0.40) AGTR1AGTR2KMT2APPARGADORA3
SCHEMBL9708107 0.92 AGTR1 (0.47) AGTR1AGTR2KMT2APPARG
SCHEMBL9707458 0.92 AGTR1 (0.44) AGTR1AGTR2KMT2APPARGADORA3
SCHEMBL9707859 0.91 DCTPP1 (0.40) AGTR1AGTR2KMT2APPARGADORA3

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