SCHEMBL13626103

SCHEMBL13626103

BC(=O)NC(=N)c1ccccc1-c1ccc(Cc2c(CCC)nc(C)n(-c3ccc4c(c3)C(O)CC(C)(C)O4)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL14207563 0.92 AGTR1 (0.33) AGTR1PPARG
SCHEMBL13626539 0.92 CTSD (0.34) AGTR1PPARG
SCHEMBL14208518 0.89 AGTR1 (0.32) AGTR1
SCHEMBL13625899 0.88 AGTR1 (0.35) AGTR1PPARG
SCHEMBL13625917 0.87 AGTR1 (0.34) AGTR1
SCHEMBL13626101 0.84 AGTR1 (0.35) AGTR1
SCHEMBL13626528 0.84
SCHEMBL1891503 0.84 AGTR1 (0.35) AGTR1PPARG
SCHEMBL13625878 0.83 AGTR1 (0.35) AGTR1
SCHEMBL1888654 0.81 SLC33A1 (0.48)

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed