SCHEMBL4011246

SCHEMBL4011246

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
ACHE P22303 1/20 0.41
AGTR1 P30556 4/20 0.37
AGTR2 P50052 3/20 0.37
EDNRA P25101 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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 0.93 PPARG (0.50) PPARGACHEAGTR1AGTR2EDNRA
SCHEMBL1892450 0.90 PPARG (0.49) PPARGACHEAGTR1AGTR2EDNRA
SCHEMBL4016998 0.88 PPARG (0.45) PPARGACHEAGTR1AGTR2
SCHEMBL4011296 0.85 PPARG (0.47) PPARGACHEAGTR1AGTR2
SCHEMBL4010050 0.84 PPARG (0.49) PPARGACHEAGTR1AGTR2
SCHEMBL4010964 0.84 PPARG (0.46) PPARGACHEAGTR1AGTR2EDNRA
SCHEMBL4013058 0.84 PPARG (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL1893340 0.83 PPARG (0.51) PPARGACHEAGTR1
SCHEMBL1892271 0.82 PPARG (0.50) PPARGACHEAGTR1AGTR2
SCHEMBL4012027 0.81 PPARG (0.63) 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