SCHEMBL9050740

SCHEMBL9050740

CCCN(CC1CCc2c(cccc2OC(=O)CO)C1)C(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.42
DRD2 P14416 3/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9047707 0.92 PTGIR (0.41) PTGIRDRD2DRD4DRD3
SCHEMBL9047459 0.87 PTGIR (0.44) PTGIR
SCHEMBL9050742 0.87 PTGIR (0.58) PTGIR
SCHEMBL9049474 0.84 PTGIR (0.43) PTGIR
SCHEMBL9050737 0.82 NPSR1 (0.37) PTGIRDRD2DRD4DRD3NPSR1
SCHEMBL9047709 0.79 PTGIR (0.57) PTGIR
SCHEMBL9047450 0.76 PTGIR (0.46) PTGIR
SCHEMBL9048569 0.74 PTGIR (0.47) PTGIR
SCHEMBL9047704 0.74 DRD2 (0.37) PTGIRDRD2DRD4DRD3
SCHEMBL8858528 0.73 PTGIR (0.61) PTGIR

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