SCHEMBL3682609

SCHEMBL3682609

O=C1CC[C@H](/C=C/[C@@H](O)C(F)(F)c2ccccc2)N1CCCCCc1nnn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.54
PTGER3 P43115 7/20 0.54
PTGER2 P43116 6/20 0.49
PTGER1 P34995 1/20 0.45

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
SCHEMBL3674649 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3671539 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL11024470 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3677438 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3680384 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3673657 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL11024464 1.00 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL5902919 0.87 PTGER4 (0.39) PTGER4PTGER3PTGER2
SCHEMBL16089510 0.87 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1
SCHEMBL5902684 0.87 PTGER4 (0.41) PTGER4PTGER3PTGER2PTGER1

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-1513589-B1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA LTD (CA) 2010-11-10 EP claimed