SCHEMBL3821755

SCHEMBL3821755

CCOC(c1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1)c1nc2cccc(C(=O)OC)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.45
CMKLR1 Q99788 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
PPARG P37231 4/20 0.40
KCNH2 Q12809 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL15540397 0.92 CMKLR1 (0.48) AGTR2CMKLR1LTB4R2
SCHEMBL8836872 0.84 BRS3 (0.33) AGTR2LTB4R2PPARGAGTR1
SCHEMBL789857 0.79 ABCB11 (0.36) AGTR2CMKLR1LTB4R2PPARGAGTR1
SCHEMBL9291479 0.78 PARP1 (0.35) AGTR2LTB4R2PPARGAGTR1
SCHEMBL844427 0.76 ABCB11 (0.38) AGTR2LTB4R2PPARGAGTR1
SCHEMBL965217 0.74 AGTR2 (0.75) AGTR2LTB4R2PPARGAGTR1
SCHEMBL17424355 0.72 AGTR2 (0.60) AGTR2PPARG
SCHEMBL3400645 0.69 PPARG (0.51) AGTR2PPARGAGTR1
SCHEMBL683359 0.69 AGTR2 (0.57) AGTR2PPARGAGTR1
SCHEMBL3638790 0.69 AGTR1 (0.39) AGTR2LTB4R2PPARGAGTR1

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-1857457-B1 Benzimidazole derivative and its use as AII receptor antagonist TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
EP-1857457-A2 Benzimidazole derivative and its use as AII receptor antagonist Takeda Pharmaceutical Company Limited (JP) 2007-11-21 EP disclosed