SCHEMBL3136537

SCHEMBL3136537

O=C1CCC[C@H](/C=C/[C@@H](O)C(F)(F)c2ccccc2)N1CC#CCS

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 5/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL3136527 0.90 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL2209847 0.86 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL2209857 0.86 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL2212183 0.82 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL2212180 0.82 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL3136075 0.78 PTGER4 (0.70) PTGER4PTGER3PTGER2
SCHEMBL2205865 0.78 PTGER4 (0.70) PTGER4PTGER3PTGER2
SCHEMBL2205857 0.78 PTGER4 (0.70) PTGER4PTGER3PTGER2
SCHEMBL2208514 0.76 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL2212442 0.76 PTGER4 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 EP claimed