SCHEMBL9707908

SCHEMBL9707908

CCCCCc1nc2c(c(=O)n(CC(C)C)c(=O)n2C(C)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
AGTR1 P30556 4/20 0.42
AGTR2 P50052 4/20 0.42

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
SCHEMBL9708684 0.98 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708240 0.95 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL9708370 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708362 0.94 AGTR1 (0.44) PPARGAGTR1AGTR2
SCHEMBL9708249 0.93 AGTR1 (0.44) PPARGAGTR1AGTR2
SCHEMBL9707394 0.93 AGTR1 (0.44) PPARGAGTR1AGTR2
SCHEMBL9708301 0.93 PPARG (0.46) PPARGAGTR1AGTR2
SCHEMBL9707909 0.92 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9707517 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708358 0.92 AGTR1 (0.45) PPARGAGTR1AGTR2

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