SCHEMBL3841314

SCHEMBL3841314

CC(C)(Oc1ccc(CCNc2nn(CCCC3CCCCC3)c(=O)n(CCCC(F)(F)F)c2=O)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.52
PPARG P37231 10/20 0.52
PPARD Q03181 6/20 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
SCHEMBL3285150 0.92 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3849260 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845317 0.85 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3844508 0.84 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3844320 0.82 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3841175 0.81 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3851244 0.80 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3285183 0.79 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL3845816 0.79 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3842503 0.79 PPARA (0.52) PPARAPPARGPPARD

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 4 patents. 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed