SCHEMBL8528362

SCHEMBL8528362

CC(C)(C)OC(=O)N1CCCC1(C)N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK3 P52333 2/20 0.38
CTSK P43235 1/20 0.38
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.35
KDM1A O60341 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PREP P48147 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4623513 0.95 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL3793181 0.95 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL475482 0.82 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL932957 0.81 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL6632443 0.80 GRIN2B (0.46) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL14234512 0.80 GRIN2B (0.46) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL29200802 0.80 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL15125135 0.80 GRIN2B (0.46) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL4730578 0.79 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3
SCHEMBL28721452 0.79 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP disclosed
EP-0539281-A1 New naphthamides, process for their preparation and their application in the therapeutical field INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-28 EP disclosed