SCHEMBL3844487

SCHEMBL3844487

CCCCCCCn1c(=O)c(NCCCc2cccc(OC(C)(CCC)C(=O)O)c2)nn(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 1/20 0.40
ADORA3 P0DMS8 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3841989 0.96 PPARA (0.46) PPARAPPARGPPARDADORA3CYP2D6
SCHEMBL3841464 0.94 PPARA (0.48) PPARAPPARGPPARDADORA3MTNR1A
SCHEMBL3841118 0.92 PPARA (0.40) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL3844887 0.92 PPARA (0.52) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3844352 0.91 PPARA (0.48) PPARAPPARGPPARDADORA3CYP2D6
SCHEMBL3849183 0.91 PPARA (0.60) PPARAPPARGPPARDADORA3MTNR1A
SCHEMBL3844889 0.90 PPARA (0.42) PPARAPPARGPPARDCYP2D6
SCHEMBL3849215 0.90 PPARA (0.45) PPARAPPARGPPARDADORA3TLR7
SCHEMBL3844298 0.89 PPARA (0.51) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3840689 0.89 PPARA (0.47) PPARAPPARGPPARDADORA3LMNA

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed