SCHEMBL2843382

SCHEMBL2843382

Cc1nc(CC2CC2)c(Cc2ccc(-c3ccccc3)c(-c3noc(=O)[nH]3)c2)c(=O)n1-c1ccc2c(c1)CCO2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 15/20 0.39
PPARG P37231 4/20 0.39
AGTR1 P30556 1/20 0.34

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
SCHEMBL1896330 0.93 SLC33A1 (0.46) SLC33A1PPARG
SCHEMBL4447449 0.84 SLC33A1 (0.42) SLC33A1PPARGAGTR1
SCHEMBL1892340 0.83 SLC33A1 (0.50) SLC33A1PPARG
SCHEMBL1890207 0.82 PPARG (0.48) SLC33A1PPARGAGTR1
SCHEMBL1894422 0.82 SLC33A1 (0.44) SLC33A1PPARG
SCHEMBL1891449 0.81 SLC33A1 (0.52) SLC33A1PPARG
SCHEMBL4445624 0.81 PPARG (0.47) SLC33A1PPARGAGTR1
SCHEMBL1891452 0.79 SLC33A1 (0.45) SLC33A1PPARG
SCHEMBL4306886 0.78 AGTR1 (0.48) SLC33A1PPARGAGTR1
SCHEMBL1889031 0.77 SLC33A1 (0.49) SLC33A1PPARGAGTR1

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
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed