SCHEMBL27733730

SCHEMBL27733730

CC(C)(C)OC(=O)C1(C)CN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTR2C P28335 2/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 4/20 0.41
RORC P51449 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1B P28222 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
SCHEMBL3976953 1.00 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3975093 1.00 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27733865 0.88 SMN1; SMN2 (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27733746 0.88 SMN1; SMN2 (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3977702 0.86 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3983032 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4172323 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4172318 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1189701 0.80 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27225803 0.80 USP30 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-101189222-B Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO CO LTD 2013-01-02 CN disclosed
CN-101189222-A Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SEIYAKU CO (JP) 2008-05-28 CN disclosed