SCHEMBL4010716

SCHEMBL4010716

CCSC1=NC(C)=C(Cc2ccccc2)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
AGTR1 P30556 2/20 0.49
SLC33A1 O00400 1/20 0.43

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
SCHEMBL4014469 0.77 AGTR1 (0.60) PPARGAGTR1
SCHEMBL4011112 0.75 PPARG (0.53) PPARGAGTR1SLC33A1
SCHEMBL1885484 0.74 PPARG (0.63) PPARGAGTR1SLC33A1
SCHEMBL4305728 0.74 PPARG (0.53) PPARGAGTR1
SCHEMBL1891965 0.73 PPARG (0.62) PPARGAGTR1SLC33A1
SCHEMBL4302459 0.73 AGTR1 (0.52) PPARGAGTR1SLC33A1
SCHEMBL1889449 0.73 PPARG (0.62) PPARGAGTR1SLC33A1
Hydrochloric Acid SCHEMBL1889532 0.73 PPARG (0.62) PPARGAGTR1SLC33A1
Bromide SCHEMBL1898165 0.73 PPARG (0.62) PPARGAGTR1SLC33A1
SCHEMBL4010717 0.73 PPARG (0.47) PPARGSLC33A1

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