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Sugi Predict / Compounds / SCHEMBL9708041

SCHEMBL9708041

SCHEMBL9708041

CCCCc1nc2c(c(=O)n(CCC(=O)OC)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.51
▸ AGTR2 P50052 4/20 0.51
▸ PPARG P37231 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9708723 0.98 AGTR1 (0.48) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL9708634 0.96 KDM4E (0.46) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL9707728 0.94 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9707515 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9708527 0.90 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9708365 0.89 AGTR1 (0.48) AGTR1AGTR2PPARGALDH1A1
SCHEMBL9707530 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707925 0.89 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9708599 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9708070 0.88 AGTR1 (0.48) 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 2 patents. 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 claimed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed