SCHEMBL4434012

SCHEMBL4434012

COc1ncccc1C(C(C)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.42
AHR P35869 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NFE2L2 Q16236 2/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAT2A P31153 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL4432350 0.81 AKR1C3 (0.45) L3MBTL1
SCHEMBL4433334 0.75 HDAC4 (0.52) TRPM8
SCHEMBL4436009 0.75 MEN1 (0.43) ALDH1A1
SCHEMBL28889381 0.75 ADRB2 (0.39) AHRGPBAR1NFE2L2ALDH1A1L3MBTL1
SCHEMBL4438360 0.74 SORT1 (0.46) TRPM8AHRPTGDR2
SCHEMBL4433967 0.74 ACP3 (0.41)
SCHEMBL4433940 0.73 BCHE (0.42) AHRNFE2L2
SCHEMBL2304585 0.73 ACP3 (0.56) ALDH1A1
SCHEMBL4435069 0.71 CES2 (0.41) TRPM8CYP3A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4434628 0.70 AKR1C3 (0.51)

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed