SCHEMBL22296756

SCHEMBL22296756

COC[C@@H]1CCCN1C(=O)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
DPP4 P27487 5/20 0.44
DPP8 Q6V1X1 5/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MMP3 P08254 1/20 0.40
PREP P48147 1/20 0.40
POLB P06746 3/20 0.40
CYP2D6 P10635 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
TLR9 Q9NR96 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
SCHEMBL22900003 1.00 SMN1; SMN2 (0.45) SMN1; SMN2DPP4DPP8ROCK2ROCK1
SCHEMBL16221905 0.85 DPP4 (0.41) DPP4DPP8ROCK2ROCK1MMP3
SCHEMBL9676526 0.85 SMN1; SMN2 (0.42) SMN1; SMN2DPP4DPP8PREPPOLB
SCHEMBL9675632 0.85 SMN1; SMN2 (0.42) SMN1; SMN2DPP4DPP8PREPPOLB
SCHEMBL13077436 0.85 DPP4 (0.53) DPP4DPP8ROCK2ROCK1MMP3
SCHEMBL7542669 0.84 SMN1; SMN2 (0.45) SMN1; SMN2DPP4DPP8PREPPOLB
SCHEMBL13077684 0.82 DPP4 (0.48) DPP4DPP8ROCK2ROCK1POLB
SCHEMBL19432460 0.82 SMN1; SMN2 (0.49) SMN1; SMN2DPP4DPP8PREPPOLB
SCHEMBL13662567 0.82 ROCK2 (0.46) DPP4DPP8ROCK2ROCK1POLB
SCHEMBL10272737 0.82 ROCK2 (0.46) DPP4DPP8ROCK2ROCK1POLB

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-3690049-A1 COMPOSITIONS AND METHODS FOR MODULATING APOLIPOPROTEIN C-III EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed