SCHEMBL8120986

SCHEMBL8120986

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1C(O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
AGTR2 P50052 1/20 0.43
BCHE P06276 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
TP53 P04637 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KLK7 P49862 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL13340712 1.00 GPR119 (0.45) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL14160138 0.88 AGTR2 (0.46) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL14085916 0.87 NR1H3 (0.51) GPR119AGTR2NR1H2NR1H3
SCHEMBL13340709 0.86 AGTR2 (0.44) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL12845090 0.86 AGTR2 (0.46) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL6337507 0.85 AGTR2 (0.50) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL6337504 0.85 AGTR2 (0.50) GPR119AGTR2BCHENR1H2NR1H3
SCHEMBL3492556 0.84 AGTR2 (0.50) AGTR2BCHE
SCHEMBL13340714 0.83 NR1H2 (0.44) GPR119AGTR2NR1H2NR1H3TP53
SCHEMBL2017921 0.82 NR1H2 (0.46) GPR119AGTR2NR1H2NR1H3PRMT5

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed