SCHEMBL992635

SCHEMBL992635

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
CTSK P43235 1/20 0.37
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK3 P52333 2/20 0.33
PREP P48147 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 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
SCHEMBL15924562 0.87 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL19614453 0.87 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL19614479 0.87 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL14343714 0.84 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL14343716 0.84 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL15665671 0.82 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL3514059 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL7264298 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL706532 0.82 CHRM2 (0.39) GRIN2BGRIN2CCTSKSMN1; SMN2JAK3
SCHEMBL7258557 0.82 GRIN2B (0.37) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2

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-2011011483-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed