SCHEMBL28670928

SCHEMBL28670928

CC(C)(C)OC(=O)N1CCNC[C@@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.32
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 1/20 0.31
PREP P48147 1/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL5478401 1.00 USP2 (0.35) USP2SMN1; SMN2GPR119MAPK1CTSK
SCHEMBL16636874 1.00 USP2 (0.35) USP2SMN1; SMN2GPR119MAPK1CTSK
SCHEMBL28975611 0.87 USP2 (0.34) USP2SMN1; SMN2MAPK1CTSKNR1H2
SCHEMBL27824848 0.85 USP2 (0.33) USP2SMN1; SMN2MAPK1CTSKNR1H2
SCHEMBL27858888 0.85 USP2 (0.33) USP2SMN1; SMN2MAPK1CTSKNR1H2
Ammonia Solution, Strong SCHEMBL22169166 0.84 USP2 (0.33) USP2SMN1; SMN2MAPK1CTSKEPHX2
SCHEMBL324691 0.83 USP2 (0.38) USP2SMN1; SMN2MAPK1CTSKNR1H2
SCHEMBL3733138 0.82 MAPK1 (0.39) USP2GPR119MAPK1NR1H2NR1H3
SCHEMBL25694549 0.81 USP2 (0.37) USP2SMN1; SMN2MAPK1CTSKNR1H2
Hydrochloric Acid SCHEMBL18096129 0.81 USP2 (0.37) USP2SMN1; SMN2MAPK1CTSKNR1H2

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-114685514-A Novel amide pyrrole compound and application thereof in medicines 广东东阳光药业有限公司 2022-07-01 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed