SCHEMBL4016028

SCHEMBL4016028

CCCC1=NC(CC)=C(C(=O)N2CCOCC2)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.52
PPARG P37231 1/20 0.52
SLC33A1 O00400 2/20 0.46
PLA2G2A P14555 1/20 0.43

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
SCHEMBL4309865 0.92 AGTR1 (0.44) AGTR1PPARGSLC33A1PLA2G2A
SCHEMBL4010280 0.77 PPARG (0.52) AGTR1PPARGSLC33A1
SCHEMBL1888375 0.77 AGTR1 (0.62) AGTR1PPARG
SCHEMBL4011196 0.76 PPARG (0.48) AGTR1PPARGSLC33A1
SCHEMBL4017109 0.75 AGTR1 (0.46) AGTR1PPARGSLC33A1
SCHEMBL4016033 0.73 AGTR1 (0.49) AGTR1PPARGSLC33A1
SCHEMBL13277715 0.72 AGTR1 (0.63) AGTR1PPARG
SCHEMBL4016469 0.71 PPARG (0.52) AGTR1PPARGSLC33A1
SCHEMBL1895131 0.70 AGTR1 (0.63) AGTR1PPARGSLC33A1
SCHEMBL2772671 0.70 AGTR1 (0.76) AGTR1

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 2 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 disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed