SCHEMBL9050737

SCHEMBL9050737

CCCN(CC1CCc2c(cccc2C(=O)C(=O)O)C1)C(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 5/20 0.37
DRD1 P21728 3/20 0.37
DRD3 P35462 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
PTGIR P43119 2/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36

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
SCHEMBL9047704 0.92 DRD2 (0.37) DRD2DRD1DRD3CYP1A2CYP3A4
SCHEMBL9050455 0.88 DRD2 (0.39) NPSR1DRD2DRD1DRD3CYP1A2
SCHEMBL9050993 0.86 PTGIR (0.39) PTGIR
SCHEMBL9049469 0.83 PTGIR (0.38) DRD2DRD1DRD3CYP1A2CYP3A4
SCHEMBL9050742 0.83 PTGIR (0.58) PTGIR
SCHEMBL9050740 0.82 PTGIR (0.42) NPSR1DRD2DRD3DRD4PTGIR
SCHEMBL9046065 0.81 DRD2 (0.38) DRD2DRD1DRD3CYP1A2CYP3A4
SCHEMBL9047644 0.75 PTGIR (0.36) DRD2DRD1DRD3CYP1A2CYP3A4
SCHEMBL9047709 0.75 PTGIR (0.57) PTGIR
SCHEMBL9047707 0.74 PTGIR (0.41) DRD2DRD3DRD4PTGIR

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