SCHEMBL3672265

SCHEMBL3672265

O=C1CC[C@H](C(O)=CCC(F)(F)c2ccccc2)N1CCCCCCc1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.37
PTGER3 P43115 7/20 0.35
PTGER2 P43116 5/20 0.34
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL3682613 1.00 PTGER4 (0.37) PTGER4PTGER3PTGER2TSHRUSP2
SCHEMBL3676019 0.85 PTGER4 (0.38) PTGER4PTGER3PTGER2
SCHEMBL6683752 0.84 PTGER4 (0.42) PTGER4PTGER3PTGER2TSHRUSP2
SCHEMBL24644852 0.83 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL3675753 0.82 PTGER4 (0.35) PTGER4PTGER3PTGER2TSHRUSP2
SCHEMBL1555462 0.79 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL4293753 0.77 PTGER4 (0.38) PTGER4PTGER3PTGER2TSHRUSP2
SCHEMBL3674649 0.76 PTGER4 (0.54) PTGER4PTGER3PTGER2
SCHEMBL3680513 0.76 GAA (0.38) PTGER4PTGER3TSHRUSP2
SCHEMBL11024464 0.76 PTGER4 (0.54) 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-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