SCHEMBL9049997

SCHEMBL9049997

O=C(CN(c1ccccc1)c1cccnc1)NCCC1CCCc2c(OC(=O)CO)cccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.45
TBXAS1 P24557 1/20 0.45
KDM4C Q9H3R0 7/20 0.43
SIGMAR1 Q99720 4/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL8858440 0.88 PTGIR (0.60) PTGIRTBXAS1KDM4CSIGMAR1HTR1A
SCHEMBL9048665 0.84 TBXAS1 (0.46) PTGIRTBXAS1KDM4CSIGMAR1
SCHEMBL9045227 0.78 TBXAS1 (0.47) PTGIRTBXAS1KDM4CSIGMAR1
SCHEMBL9047809 0.77 TBXAS1 (0.43) PTGIRTBXAS1KDM4C
SCHEMBL9427295 0.77 TBXAS1 (0.43) PTGIRTBXAS1KDM4C
SCHEMBL9050249 0.75 TBXAS1 (0.42) PTGIRTBXAS1KDM4C
SCHEMBL9427260 0.75 PTGIR (0.76) PTGIRTBXAS1KDM4CSIGMAR1
SCHEMBL9048486 0.74 PTGIR (0.55) PTGIRTBXAS1KDM4CSIGMAR1
SCHEMBL8858414 0.73 TBXAS1 (0.59) PTGIRTBXAS1KDM4C
SCHEMBL9050869 0.72 PTGIR (0.53) PTGIRSIGMAR1

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