SCHEMBL3845754

SCHEMBL3845754

N#CC1CC(OC(=O)c2ccccc2)CN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL1155413 1.00 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL1155031 0.84 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL744096 0.79 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5526977 0.79 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3995044 0.75 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL22091588 0.71 SLC6A2 (0.43) MEN1KMT2AGAA
SCHEMBL2693361 0.70 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL10216249 0.69 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4453290 0.69 MEN1 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL1786140 0.69 MEN1 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035395-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-03-18 EP disclosed
WO-2008001195-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-03 WO disclosed