SCHEMBL8137653

SCHEMBL8137653

C[C@H]1CCCN1C(=O)CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.58
DPP8 Q6V1X1 3/20 0.58
PREP P48147 2/20 0.58
FAP Q12884 1/20 0.58
DPP9 Q86TI2 1/20 0.58
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.43
DPP7 Q9UHL4 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL1631843 1.00 DPP4 (0.58) DPP4DPP8PREPFAPDPP9
SCHEMBL18620645 0.94 HPGD (0.53) DPP4DPP8PREPFAPDPP9
SCHEMBL18793797 0.94 HPGD (0.53) DPP4DPP8PREPFAPDPP9
SCHEMBL1632385 0.88
SCHEMBL1631030 0.85 CHRM2 (0.46) DPP4DPP8PREPFAPDPP9
SCHEMBL1860910 0.82 SMYD3 (0.43) DPP4DPP8PREPFAPDPP9
SCHEMBL13674784 0.82 HPGD (0.47) DPP4HPGDSMN1; SMN2GAAKMT2A
SCHEMBL14218669 0.82 HPGD (0.47) DPP4DPP8PREPFAPDPP9
SCHEMBL1632770 0.82 HPGD (0.47) DPP4DPP8PREPFAPDPP9
SCHEMBL14301360 0.82 HPGD (0.47) DPP4HPGDSMN1; SMN2GAAKMT2A

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-2008131149-A2 CRYSTAL FORMS OF SAXAGLIPTIN AND PROCESSES FOR PREPARING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed