SCHEMBL27644752

SCHEMBL27644752

CCC(CCC(C)(N)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
FFAR1 O14842 4/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
EEF2K O00418 1/20 0.37
SLC6A9 P48067 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL27665529 0.86 FFAR1 (0.39) GRM8GRM4FFAR1HDAC8HDAC6
SCHEMBL27665487 0.85 MEN1 (0.46) CES2SLC6A9
SCHEMBL23009730 0.84 RIPK1 (0.40)
SCHEMBL27665501 0.83 GRM8 (0.43) GRM8GRM4FFAR1CES2CES1
SCHEMBL27644256 0.79 PPARA (0.44) SLC6A9DPP4HRH3PPARA
SCHEMBL27644166 0.78 HRH3 (0.40) FFAR1HDAC8HRH3PPARA
SCHEMBL4983450 0.76 PPARA (0.45) GRM8GRM4FFAR1HDAC8HDAC6
SCHEMBL27665810 0.76 GRB2 (0.43) FFAR1SLC6A9DPP4PPARA
SCHEMBL27644051 0.75 TAAR1 (0.41) FFAR1HDAC8PPARA
SCHEMBL23891940 0.75 SLC6A2 (0.45) GRM8GRM4

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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed