SCHEMBL8410702

SCHEMBL8410702

O=C(O)COc1cccc2c1CCCC2CCn1cnc(Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.60
TBXAS1 P24557 1/20 0.51
SIGMAR1 Q99720 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL8810160 0.89 PTGIR (0.47) PTGIRSIGMAR1HTR1A
SCHEMBL8809752 0.82 PTGIR (0.44) PTGIRTBXAS1PTGDR2
SCHEMBL8811745 0.82 PTGIR (0.44) PTGIRTBXAS1PTGDR2
SCHEMBL9155513 0.77 PTGIR (0.69) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9155480 0.76 PTGIR (0.68) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL8412769 0.76 PTGIR (0.59) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL8414449 0.75 PTGIR (0.51) PTGIRTBXAS1PTGDR2
SCHEMBL8858587 0.75 PTGIR (0.72) PTGIRTBXAS1SIGMAR1PTGDR2HTR1A
SCHEMBL8411068 0.75 PTGIR (1.00) PTGIRTBXAS1PTGDR2
SCHEMBL8414452 0.75 PTGIR (0.60) PTGIRTBXAS1SIGMAR1PTGDR2

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