SCHEMBL28030128

SCHEMBL28030128

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
CTSK P43235 1/20 0.45
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK3 P52333 2/20 0.34
RET P07949 4/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL16465881 1.00 DPP4 (0.47) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL14235248 1.00 DPP4 (0.47) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL31079055 0.90 CTSK (0.44) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL6429049 0.86 GRIN2B (0.41) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL22983925 0.84 GRIN2B (0.40) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL25181626 0.84 GRIN2B (0.40) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL22983926 0.84 GRIN2B (0.40) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL25171334 0.82 GRIN2B (0.41) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL25181160 0.82 GRIN2B (0.41) DPP4CTSKGRIN2BGRIN2CMEN1
SCHEMBL25171336 0.82 GRIN2B (0.41) DPP4CTSKGRIN2BGRIN2CMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 CN disclosed