SCHEMBL4010722

SCHEMBL4010722

CCCCC1=C(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)CN(c2ccc(OC(C)(C)C)cc2)C(C)=N1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
AGTR1 P30556 2/20 0.44
SLC33A1 O00400 6/20 0.44

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
SCHEMBL4011144 0.92 SLC33A1 (0.47) PPARGAGTR1SLC33A1
SCHEMBL4012804 0.91 SLC33A1 (0.47) PPARGAGTR1SLC33A1
SCHEMBL4016688 0.88 PPARG (0.47) PPARGAGTR1
SCHEMBL4009750 0.87 SLC33A1 (0.44) SLC33A1
SCHEMBL4311530 0.87 SLC33A1 (0.44) SLC33A1
SCHEMBL4312498 0.86 PPARG (0.45) PPARGAGTR1SLC33A1
SCHEMBL4017556 0.85 PPARG (0.45) PPARGAGTR1SLC33A1
SCHEMBL4016515 0.85 SLC33A1 (0.47) PPARGAGTR1SLC33A1
SCHEMBL4013359 0.84 SLC33A1 (0.47) PPARGAGTR1SLC33A1
SCHEMBL4010901 0.84 PPARG (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
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