SCHEMBL4016512

SCHEMBL4016512

CCCCc1nc(C)n(CC(=O)NC(C)(C)C)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.48
AGTR1 P30556 2/20 0.46
SLC33A1 O00400 2/20 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
SCHEMBL12348849 0.92 PPARG (0.55) PPARGAGTR1SLC33A1
SCHEMBL4167619 0.85 AGTR1 (0.49) PPARGAGTR1
SCHEMBL1886698 0.83 PPARG (0.59) PPARGAGTR1SLC33A1
SCHEMBL4017161 0.83 PPARG (0.52) PPARGAGTR1
SCHEMBL1892526 0.82 SLC33A1 (0.65) PPARGAGTR1SLC33A1
SCHEMBL1892553 0.81 SLC33A1 (0.64) PPARGAGTR1SLC33A1
SCHEMBL12348578 0.81 PPARG (0.56) PPARGAGTR1SLC33A1
Hydrochloric Acid SCHEMBL1896717 0.81 SLC33A1 (0.64) PPARGAGTR1SLC33A1
Bromide SCHEMBL1893381 0.81 SLC33A1 (0.64) PPARGAGTR1SLC33A1
SCHEMBL4306343 0.81 PPARG (0.48) PPARGAGTR1SLC33A1

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
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed