SCHEMBL4010050

SCHEMBL4010050

CCCc1nc(=O)c(-c2ccc3c(c2)CC(C)(C)O3)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
ACHE P22303 1/20 0.41
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL4010058 0.92 PPARG (0.50) PPARGACHEAGTR1AGTR2
SCHEMBL4016998 0.89 PPARG (0.45) PPARGACHEAGTR1AGTR2
SCHEMBL1892271 0.89 PPARG (0.50) PPARGACHEAGTR1AGTR2
SCHEMBL1893340 0.88 PPARG (0.51) PPARGACHEAGTR1
SCHEMBL4011269 0.86 PPARG (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL4012701 0.86 PPARG (0.51) PPARGACHEAGTR1AGTR2
SCHEMBL1898749 0.85 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL4011246 0.84 PPARG (0.49) PPARGACHEAGTR1AGTR2
SCHEMBL4010039 0.81 PPARG (0.45) PPARGACHEAGTR1AGTR2
SCHEMBL4313411 0.81 PPARG (0.59) PPARGACHEAGTR1AGTR2

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