SCHEMBL4432069

SCHEMBL4432069

Cc1cc(C(=O)NCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(Cl)cc2cc(-c3ccc(F)cc3F)oc12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.55
PTGER3 P43115 1/20 0.42

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
SCHEMBL3212001 0.90 PTGER1 (0.57) PTGER1
SCHEMBL4428672 0.88 PTGER1 (0.65) PTGER1
SCHEMBL4430193 0.86 PTGER1 (0.52) PTGER1
SCHEMBL3225338 0.85 PTGER1 (0.75) PTGER1
SCHEMBL4431811 0.85 PTGER1 (0.62) PTGER1
Hydrochloric Acid SCHEMBL3214541 0.85 PTGER1 (0.74) PTGER1
SCHEMBL13424512 0.80 PTGER1 (0.75) PTGER1
SCHEMBL3211704 0.80 PTGER1 (0.59) PTGER1
Hydrochloric Acid SCHEMBL3203719 0.79 PTGER1 (0.74) PTGER1
SCHEMBL3215497 0.79 PTGER1 (0.56) PTGER1PTGER3

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