SCHEMBL20054876

SCHEMBL20054876

CC(C)(C)OC(=O)N1CCC[C@@]1(I)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
EPHX1 P07099 1/20 0.36
JAK3 P52333 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.33
PREP P48147 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL193269 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL1839800 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL992886 0.90 USP2 (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2246036 0.81 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL3370511 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL1268184 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2429525 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL631031 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL387543 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2774828 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed