SCHEMBL4609423

SCHEMBL4609423

CCOc1c2c(c(O)c3ccccc13)CN(c1ccc(CC(=O)O)cc1F)C2=O

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.88
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL2295490 0.94 PTGER4 (1.00) PTGER4CYP1A2CYP2D6
SCHEMBL10058592 0.91 PTGER4 (0.73) PTGER4
SCHEMBL1590327 0.89 PTGER4 (0.86) PTGER4CYP1A2CYP2D6
SCHEMBL2432521 0.88 PTGER4 (0.88) PTGER4CYP1A2CYP2D6
SCHEMBL2429985 0.88 PTGER4 (0.88) PTGER4CYP1A2CYP2D6
SCHEMBL3227301 0.88 PTGER4 (0.88) PTGER4CYP1A2CYP2D6
SCHEMBL3227318 0.88 PTGER4 (0.88) PTGER4CYP1A2CYP2D6
SCHEMBL12002071 0.87 PTGER4 (0.81) PTGER4CYP1A2CYP2D6
SCHEMBL1590297 0.87 PTGER4 (0.86) PTGER4
SCHEMBL2298754 0.86 PTGER4 (0.86) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-1979317-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed