SCHEMBL5823969

SCHEMBL5823969

Cn1c(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)Nc2[c]cccc2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
SIRT1 Q96EB6 5/20 0.41
SIRT2 Q8IXJ6 5/20 0.41
SIRT3 Q9NTG7 3/20 0.41

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
SCHEMBL5823812 0.90 HDAC1 (0.40) PTGER4CTSSCTSL
SCHEMBL5822853 0.86 SIRT2 (0.47) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL12193390 0.86 PTGER4 (0.54) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL5821423 0.83 SIRT1 (0.44) PTGER4SIRT1SIRT2SIRT3
SCHEMBL5652265 0.83 PTGER4 (0.68) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL5747997 0.82 PTGER4 (0.47) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL5654596 0.82 PTGER4 (0.51) PTGER4CTSSCTSLSIRT1
SCHEMBL5654995 0.82 PTGER4 (0.59) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL5652884 0.82 PTGER4 (0.47) PTGER4CTSSCTSL
SCHEMBL5655260 0.82 PTGER4 (0.45) PTGER4CTSSCTSLSIRT1SIRT2

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-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed