SCHEMBL6920400

SCHEMBL6920400

O=C1CCC(C=CC(O)Cc2ccccc2)N1Cc1cccc(CCCc2nnn[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.55
PTGER2 P43116 4/20 0.52
PTGER3 P43115 1/20 0.52

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
SCHEMBL6920391 1.00 PTGER4 (0.55) PTGER4PTGER2PTGER3
SCHEMBL6920397 1.00 PTGER4 (0.55) PTGER4PTGER2PTGER3
SCHEMBL5815153 0.86 PTGER4 (0.73) PTGER4PTGER2PTGER3
SCHEMBL6683757 0.86 PTGER4 (0.73) PTGER4PTGER2PTGER3
SCHEMBL5815150 0.86 PTGER4 (0.73) PTGER4PTGER2PTGER3
SCHEMBL2244704 0.82 PTGER4 (0.66) PTGER4PTGER2PTGER3
SCHEMBL2244711 0.82 PTGER4 (0.66) PTGER4PTGER2PTGER3
SCHEMBL5953696 0.82 PTGER4 (0.42) PTGER4PTGER2PTGER3
SCHEMBL5953704 0.82 PTGER4 (0.42) PTGER4PTGER2PTGER3
SCHEMBL6794309 0.79 PTGER4 (0.74) PTGER4PTGER2PTGER3

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
WO-2004037813-A1 PYRROLIDIN-2-ON DERIVATIVES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA & CO. (CA) 2004-05-06 WO claimed
WO-2004037813-A1 PYRROLIDIN-2-ON DERIVATIVES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA & CO. (CA) 2004-05-06 WO disclosed