SCHEMBL21765280

SCHEMBL21765280

CC(C)(C)OC(=O)N1CCC2(CC1)NCN(Cc1ccc(C(F)(F)F)nc1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
TP53 P04637 1/20 0.43
PPARD Q03181 1/20 0.42
GPR119 Q8TDV5 6/20 0.41
PREP P48147 2/20 0.41
NAMPT P43490 4/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL21753304 0.88 TACR1 (0.46) MGLLPPARDGPR119NAMPTTACR1
SCHEMBL209368 0.80 PPARD (0.59) MGLLPPARDGPR119MEN1KMT2A
SCHEMBL26081084 0.80 MGLL (0.46) MGLLPPARDGPR119TACR1OPRD1
SCHEMBL3661148 0.79 GPR119 (0.44) MGLLGPR119NAMPTTACR1
SCHEMBL30328599 0.78 TACR1 (0.47) PPARDGPR119TACR1MEN1KMT2A
SCHEMBL14155585 0.78 NAMPT (0.46) MGLLNAMPT
SCHEMBL25291826 0.77 PPARD (0.51) MGLLPPARDGPR119NAMPTMEN1
SCHEMBL21608013 0.77 PPARD (0.54) MGLLPPARDGPR119MEN1KMT2A
SCHEMBL22719293 0.77 MGLL (0.43) MGLLPPARDGPR119TACR1JAK2
SCHEMBL3490742 0.76 NAMPT (0.45) MGLLNAMPT

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-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed