SCHEMBL8412816

SCHEMBL8412816

O=C(O)COc1cccc2c1CCC(CCc1coc(C(c3ccccc3)c3cccnc3)n1)=C2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.53
TBXAS1 P24557 3/20 0.40
TBXA2R P21731 5/20 0.34

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
SCHEMBL8810720 0.82 PTGIR (0.59) PTGIRTBXAS1TBXA2R
SCHEMBL8414097 0.81 PTGIR (0.58) PTGIRTBXAS1TBXA2R
SCHEMBL8410744 0.77 TBXAS1 (0.58) PTGIRTBXAS1
SCHEMBL8411186 0.77 PTGIR (0.88) PTGIRTBXAS1
SCHEMBL8811692 0.77 PTGIR (0.41) PTGIRTBXAS1
SCHEMBL8810220 0.77 PTGIR (0.41) PTGIRTBXAS1
SCHEMBL8412823 0.73 HDAC1 (0.32) PTGIR
SCHEMBL8414276 0.72 PTGIR (0.49) PTGIRTBXA2R
SCHEMBL8414332 0.72 PTGIR (0.59) PTGIRTBXA2R
SCHEMBL8810723 0.71 PTGIR (0.45) PTGIRTBXAS1

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 3 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
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