SCHEMBL3841989

SCHEMBL3841989

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 6/20 0.46
CYP2D6 P10635 2/20 0.38
PPARD Q03181 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
GRM2 Q14416 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
SCHEMBL3844487 0.96 PPARA (0.48) PPARAPPARGCYP2D6PPARDADORA3
SCHEMBL3842289 0.92 PPARG (0.39) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3844032 0.91 PPARA (0.58) PPARAPPARGCYP2D6PPARD
SCHEMBL3840362 0.90 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3841464 0.90 PPARA (0.48) PPARAPPARGCYP2D6PPARDADORA3
SCHEMBL3843706 0.89 PPARA (0.44) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3844352 0.89 PPARA (0.48) PPARAPPARGCYP2D6PPARDADORA3
SCHEMBL3841118 0.88 PPARA (0.40) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3845333 0.88 PPARA (0.46) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3844887 0.88 PPARA (0.52) PPARAPPARGPPARDADORA3

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