SCHEMBL212544

SCHEMBL212544

CC(O)(CNC(=O)c1nc(-c2cccc(Cl)c2)c(OCc2ccccn2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CNR2 P34972 8/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GABRA5 P31644 1/20 0.36
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
CFTR P13569 1/20 0.36
CTSV O60911 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL214825 0.91 CNR1 (0.40) CNR1IRAK4ADORA2ACNR2CFTR
SCHEMBL14856875 0.90 NPC1 (0.37) CNR1IRAK4ADORA2AADORA1CNR2
SCHEMBL213341 0.89 CNR1 (0.43) CNR1CNR2GABRA5VEGFAFLT1
SCHEMBL212545 0.88 CNR1 (0.53) CNR1CNR2GABRA5VEGFAFLT1
SCHEMBL211872 0.86 CNR1 (0.40) CNR1CNR2MAPTGABRA5VEGFA
SCHEMBL212749 0.84 MEN1 (0.41) CNR1IRAK4CNR2CFTR
SCHEMBL214841 0.83 CNR1 (0.40) CNR1CNR2GABRA5CFTR
SCHEMBL1017509 0.81 NPC1 (0.43) ADORA2AADORA1NPC1MAPTRAB9A
SCHEMBL215181 0.81 CNR1 (0.56) CNR1CNR2
SCHEMBL14856828 0.81 LMNA (0.38) CNR1IRAK4CNR2MAPTCTSV

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
US-8088920-B2 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US claimed
EP-2271632-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2011-01-12 EP claimed
US-8088920-B2 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-2271632-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2011-01-12 EP disclosed