SCHEMBL4014469

SCHEMBL4014469

CCCCC1=NC(C)=C(Cc2ccccc2O)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.60
PPARG P37231 6/20 0.60
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL4158456 0.79 AGTR1 (0.57) AGTR1PPARG
SCHEMBL4016389 0.79 PPARG (0.58) AGTR1PPARG
SCHEMBL4012267 0.77 PPARG (0.73) AGTR1PPARG
SCHEMBL4010716 0.77 PPARG (0.49) AGTR1PPARG
SCHEMBL4011112 0.75 PPARG (0.53) AGTR1PPARG
SCHEMBL4302459 0.75 AGTR1 (0.52) AGTR1PPARGLTB4R2
SCHEMBL4305728 0.74 PPARG (0.53) AGTR1PPARG
SCHEMBL4312419 0.74 PPARG (0.48) AGTR1PPARG
SCHEMBL4016469 0.73 PPARG (0.52) AGTR1PPARG
SCHEMBL4016594 0.73 SLC33A1 (0.54) AGTR1PPARG

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
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP claimed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO claimed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed