SCHEMBL8811204

SCHEMBL8811204

Oc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3cn[nH]c3)cn1)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.63
CYP19A1 P11511 1/20 0.40
PTGDR Q13258 3/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8811199 0.89 PTGIR (0.63) PTGIRPTGDRSIGMAR1
SCHEMBL8414286 0.86 PTGIR (0.68) PTGIRPTGDR
SCHEMBL8414284 0.86 PTGIR (0.87) PTGIRPTGDR
SCHEMBL8813545 0.80 PTGIR (0.54) PTGIRCYP19A1PTGDRDRD2DRD3
SCHEMBL8410742 0.77 PTGIR (0.77) PTGIRPTGDR
SCHEMBL8410741 0.77 PTGIR (1.00) PTGIRPTGDR
SCHEMBL8413473 0.76 PTGIR (0.76) PTGIRPTGDR
SCHEMBL8808641 0.76 PTGIR (0.75) PTGIRPTGDR
SCHEMBL8410969 0.76 PTGIR (0.86) PTGIRPTGDR
SCHEMBL8519034 0.75 PTGIR (0.68) PTGIRPTGDR

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-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed