SCHEMBL8412675

SCHEMBL8412675

O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)n3ccnc3)cn1)C2

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.73
PTGDR Q13258 4/20 0.52
TBXAS1 P24557 2/20 0.50

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
SCHEMBL8412678 0.89 PTGIR (0.57) PTGIRPTGDRTBXAS1
SCHEMBL8813299 0.86 PTGIR (0.54) PTGIRPTGDRTBXAS1
SCHEMBL8808633 0.86 PTGIR (0.54) PTGIRPTGDRTBXAS1
SCHEMBL8410741 0.85 PTGIR (1.00) PTGIRPTGDR
SCHEMBL8413356 0.83 PTGIR (0.89) PTGIRPTGDRTBXAS1
SCHEMBL8411300 0.83 PTGIR (0.85) PTGIRPTGDRTBXAS1
SCHEMBL8414216 0.82 PTGIR (0.83) PTGIRPTGDRTBXAS1
SCHEMBL8808666 0.81 PTGIR (0.71) PTGIRPTGDR
SCHEMBL8410711 0.81 PTGIR (0.71) PTGIRPTGDR
SCHEMBL8412653 0.81 PTGIR (0.87) 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 8 patents. 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 claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 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
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed