SCHEMBL4011358

SCHEMBL4011358

C=Cc1c(CC)n(Cc2ccc(-c3ccccc3C#N)cc2)c(CCC)nc1=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.61
ACHE P22303 1/20 0.43
AGTR1 P30556 1/20 0.42

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
SCHEMBL4013891 0.93 PPARG (0.61) PPARGACHEAGTR1
SCHEMBL4010668 0.87 PPARG (0.63) PPARGACHEAGTR1
SCHEMBL1897573 0.85 PPARG (0.61) PPARGACHEAGTR1
SCHEMBL4017527 0.84 PPARG (0.55) PPARGACHEAGTR1
SCHEMBL4014483 0.84 PPARG (0.57) PPARG
SCHEMBL4012581 0.83 PPARG (0.59) PPARGACHEAGTR1
SCHEMBL4009875 0.83 PPARG (0.59) PPARGACHEAGTR1
SCHEMBL4313411 0.83 PPARG (0.59) PPARGACHEAGTR1
SCHEMBL4016070 0.82 PPARG (0.57) PPARGACHEAGTR1
SCHEMBL4012577 0.82 PPARG (0.57) PPARGACHEAGTR1

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