SCHEMBL4011935

SCHEMBL4011935

CCCc1nc(=O)c(CN2CCOCC2)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
CNR2 P34972 1/20 0.44
ACHE P22303 1/20 0.42
SLC2A2 P11168 1/20 0.41
AGTR1 P30556 5/20 0.41
AGTR2 P50052 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL1890906 0.87 PPARG (0.54) PPARGCNR2ACHESLC2A2AGTR1
SCHEMBL4307164 0.85 PPARG (0.52) PPARGACHEAGTR1AGTR2
SCHEMBL4010668 0.82 PPARG (0.63) PPARGACHEAGTR1
SCHEMBL4009875 0.81 PPARG (0.59) PPARGCNR2ACHEAGTR1AGTR2
SCHEMBL4008167 0.81 PPARG (0.54) PPARGCNR2ACHEAGTR1AGTR2
SCHEMBL4013891 0.81 PPARG (0.61) PPARGACHEAGTR1AGTR2
SCHEMBL4011358 0.81 PPARG (0.61) PPARGACHEAGTR1
SCHEMBL4313411 0.79 PPARG (0.59) PPARGACHEAGTR1AGTR2
SCHEMBL4012581 0.79 PPARG (0.59) PPARGACHEAGTR1AGTR2
SCHEMBL4014483 0.78 PPARG (0.57) PPARG

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