SCHEMBL8414337

SCHEMBL8414337

O=C(O)COc1cccc2c1CCC(Cn1ncc(C(c3ccccc3)c3ccccc3)n1)C2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 20/20 0.75
PTGDR Q13258 5/20 0.61

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
SCHEMBL8414340 0.87 PTGIR (0.57) PTGIRPTGDR
SCHEMBL8810098 0.86 PTGIR (0.58) PTGIRPTGDR
SCHEMBL8414252 0.85 PTGIR (0.72) PTGIRPTGDR
SCHEMBL7776672 0.85 PTGIR (1.00) PTGIRPTGDR
SCHEMBL7776667 0.85 PTGIR (1.00) PTGIRPTGDR
SCHEMBL8411050 0.85 PTGIR (0.77) PTGIRPTGDR
SCHEMBL8410741 0.84 PTGIR (1.00) PTGIRPTGDR
SCHEMBL8414253 0.83 PTGIR (0.75) PTGIRPTGDR
SCHEMBL8414106 0.83 PTGIR (0.71) PTGIRPTGDR
SCHEMBL8414216 0.81 PTGIR (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed