SCHEMBL3843428

SCHEMBL3843428

Cn1c(=O)c(NCCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCC#N)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.46
PPARG P37231 13/20 0.46
PPARD Q03181 8/20 0.44
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL3288335 0.91 PPARA (0.50) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL3841039 0.90 PPARA (0.39) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL3844923 0.88 PPARA (0.59) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845626 0.87 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841977 0.86 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840924 0.86 PPARA (0.43) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848017 0.85 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3846682 0.85 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842858 0.83 PPARA (0.57) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840894 0.83 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11

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