SCHEMBL4017109

SCHEMBL4017109

CCCC1=NC(CC)=C(Oc2ccc3c(c2)OCO3)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.46
PPARG P37231 3/20 0.46
SLC33A1 O00400 3/20 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
SCHEMBL4309196 0.93 PPARG (0.40) AGTR1PPARGSLC33A1
SCHEMBL4010280 0.80 PPARG (0.52) AGTR1PPARGSLC33A1
SCHEMBL1888593 0.80 AGTR1 (0.53) AGTR1PPARG
SCHEMBL1886796 0.79 AGTR1 (0.52) AGTR1PPARG
SCHEMBL4011196 0.78 PPARG (0.48) AGTR1PPARGSLC33A1
SCHEMBL4017111 0.76 AGTR1 (0.40) AGTR1PPARGSLC33A1
SCHEMBL4016469 0.75 PPARG (0.52) AGTR1PPARGSLC33A1
SCHEMBL4016028 0.75 AGTR1 (0.52) AGTR1PPARGSLC33A1
SCHEMBL4016389 0.71 PPARG (0.58) AGTR1PPARG
SCHEMBL4010901 0.71 PPARG (0.44) AGTR1PPARGSLC33A1

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