SCHEMBL3840894

SCHEMBL3840894

Cn1c(=O)c(NCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.41
KCNH2 Q12809 3/20 0.40
PCSK9 Q8NBP7 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38

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
SCHEMBL3845626 0.96 PPARA (0.46) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3846682 0.95 PPARA (0.48) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3842107 0.90 PPARG (0.38) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3287474 0.90 PPARA (0.49) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3844508 0.90 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3842858 0.89 PPARA (0.57) PPARAPPARGPPARDCYP2D6CYP4F2
SCHEMBL3845816 0.89 PPARA (0.47) PPARAPPARGPPARDPCSK9CYP4F2
SCHEMBL3842503 0.88 PPARA (0.52) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840604 0.88 PPARA (0.47) PPARAPPARGPPARDPCSK9CYP4F2
SCHEMBL3843436 0.87 PPARA (0.46) PPARAPPARGPPARDKCNH2PCSK9

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-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