SCHEMBL4786111

SCHEMBL4786111

CC(C)(C)OC(=O)N1CCc2c(c(C(=O)O)cn2-c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.46
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ESR2 Q92731 1/20 0.44
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGDS O60760 1/20 0.40
HTR6 P50406 1/20 0.40
PDK2 Q15119 1/20 0.40
UCHL1 P09936 1/20 0.39
MAP3K14 Q99558 1/20 0.39
P2RX3 P56373 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4789515 0.91 MAP3K14 (0.45) GPR119GRM5GRM1HDAC1HDAC6
SCHEMBL4786115 0.77 ADORA1 (0.47) GPR119GRM5GRM1HDAC1HDAC6
SCHEMBL10095078 0.77 PDK2 (0.66) GPR119GRM5GRM1ESR2MAPK1
SCHEMBL1570606 0.77 ESR2 (0.54) ESR2ADORA1MAPK1NR1H2DDB1
SCHEMBL29801280 0.77 ESR2 (0.54) ESR2ADORA1MAPK1NR1H2DDB1
SCHEMBL30506410 0.76 HDAC6 (0.60) HDAC1HDAC6ESR2MAPK1DDB1
SCHEMBL21114856 0.76 HDAC6 (0.60) HDAC1HDAC6ESR2MAPK1DDB1
SCHEMBL31078485 0.76 HDAC1 (0.57) GPR119GRM5GRM1HDAC1HDAC6
SCHEMBL5107551 0.76 HDAC1 (0.57) GPR119GRM5GRM1HDAC1HDAC6
SCHEMBL17868275 0.74 PDK2 (0.66) GPR119GRM5GRM1ESR2MAPK1

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-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 WO disclosed