SCHEMBL4008048

SCHEMBL4008048

CCCC1=C(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)CN(c2ccc(OC(C)C)cc2)C(CC)=N1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 16/20 0.47
AGTR1 P30556 2/20 0.44
PPARG P37231 1/20 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
SCHEMBL4016515 0.92 SLC33A1 (0.47) SLC33A1AGTR1PPARG
SCHEMBL4018344 0.92 SLC33A1 (0.49) SLC33A1AGTR1PPARG
SCHEMBL4016609 0.90 SLC33A1 (0.47) SLC33A1AGTR1PPARG
SCHEMBL4009750 0.90 SLC33A1 (0.44) SLC33A1
SCHEMBL4010601 0.88 AGTR1 (0.45) SLC33A1AGTR1PPARG
SCHEMBL4013359 0.87 SLC33A1 (0.47) SLC33A1AGTR1PPARG
SCHEMBL4315748 0.86 SLC33A1 (0.52) SLC33A1PPARG
SCHEMBL4012167 0.84 SLC33A1 (0.45) SLC33A1AGTR1PPARG
SCHEMBL4010280 0.81 PPARG (0.52) SLC33A1AGTR1PPARG
SCHEMBL4311530 0.80 SLC33A1 (0.44) SLC33A1

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