SCHEMBL5763616

SCHEMBL5763616

CC(O)(CC[C@H]1CCCC(=O)N1CCCCCCc1nnn[nH]1)C(F)(F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.36
PTGER3 P43115 5/20 0.36
PTGER2 P43116 3/20 0.35

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
SCHEMBL2210863 1.00 PTGER4 (0.36) PTGER4PTGER3PTGER2
SCHEMBL2210470 1.00 PTGER4 (0.36) PTGER4PTGER3PTGER2
SCHEMBL2211406 0.83 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL2212480 0.83 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL2211412 0.83 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL2212489 0.83 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL12288900 0.77 PTGER3 (0.47) PTGER4PTGER3PTGER2
SCHEMBL2241761 0.77 PTGER3 (0.47) PTGER4PTGER3PTGER2
SCHEMBL1555462 0.77 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL3672265 0.73 PTGER4 (0.37) PTGER4PTGER3PTGER2

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-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 EP disclosed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO disclosed