SCHEMBL4428672

SCHEMBL4428672

Cc1cc(C(=O)NCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(Cl)cc2cc(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.65

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
SCHEMBL4431811 0.94 PTGER1 (0.62) PTGER1
SCHEMBL3203693 0.89 PTGER1 (0.67) PTGER1
SCHEMBL4432069 0.88 PTGER1 (0.55) PTGER1
SCHEMBL4433852 0.85 PTGER1 (0.58) PTGER1
SCHEMBL3203816 0.84 PTGER1 (0.90) PTGER1
Hydrochloric Acid SCHEMBL3210697 0.83 PTGER1 (0.88) PTGER1
SCHEMBL3212237 0.83 PTGER1 (0.64) PTGER1
SCHEMBL3215118 0.81 PTGER1 (0.82) PTGER1
SCHEMBL3212948 0.81 PTGER1 (0.87) PTGER1
SCHEMBL4657956 0.81 PTGER1 (0.75) PTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed