SCHEMBL9049469

SCHEMBL9049469

CN(CCC1CCc2c(cccc2C(=O)C(=O)O)C1)C(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.38
ACHE P22303 1/20 0.33
DRD2 P14416 4/20 0.32
DRD1 P21728 3/20 0.32
DRD3 P35462 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL9050993 0.90 PTGIR (0.39) PTGIRACHE
SCHEMBL9047704 0.88 DRD2 (0.37) PTGIRDRD2DRD1DRD3CYP1A2
SCHEMBL9050737 0.83 NPSR1 (0.37) PTGIRDRD2DRD1DRD3CYP1A2
SCHEMBL9049479 0.82 PTGIR (0.59) PTGIR
SCHEMBL9049474 0.81 PTGIR (0.43) PTGIRACHE
SCHEMBL9049789 0.80 PTGIR (0.41) PTGIRACHEDRD2DRD1DRD3
SCHEMBL9051775 0.79 PTGIR (0.40) PTGIRACHE
SCHEMBL9047644 0.78 PTGIR (0.36) PTGIRDRD2DRD1DRD3CYP1A2
SCHEMBL9046367 0.77 PTGIR (0.39) PTGIR
SCHEMBL9046065 0.77 DRD2 (0.38) DRD2DRD1DRD3CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed