SCHEMBL3842503

SCHEMBL3842503

CCCCCCCn1c(=O)c(NCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.52
PPARG P37231 11/20 0.52
PPARD Q03181 6/20 0.44
KCNH2 Q12809 3/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3842820 0.96 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3841453 0.96 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3286740 0.96 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3843706 0.93 PPARA (0.44) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3288383 0.92 PPARA (0.53) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3849871 0.92 PPARA (0.48) PPARAPPARGPPARDPCSK9
SCHEMBL3845816 0.92 PPARA (0.47) PPARAPPARGPPARDPCSK9
SCHEMBL3849260 0.91 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3840604 0.91 PPARA (0.47) PPARAPPARGPPARDPCSK9
SCHEMBL3841451 0.91 PPARA (0.58) 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 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