SCHEMBL9684035

SCHEMBL9684035

C[C@@H](N)C(=O)NN1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 4/20 0.38
DPP7 Q9UHL4 3/20 0.33
FAP Q12884 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
PREP P48147 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HTT P42858 1/20 0.32
SLC15A1 P46059 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
XIAP P98170 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL28682071 0.96 L3MBTL1 (0.42) L3MBTL1DPP4DPP7FAPDPP8
SCHEMBL8869669 0.96 L3MBTL1 (0.42) L3MBTL1DPP4DPP7FAPDPP8
SCHEMBL28654985 0.83 CA12 (0.52) HTTCA12CA2CA9
SCHEMBL4957038 0.82 SMN1; SMN2 (0.45) HTTCA12CA2CA9KDM4E
SCHEMBL28671676 0.82 SMN1; SMN2 (0.45) HTTCA12CA2CA9KDM4E
SCHEMBL4956038 0.82 SMN1; SMN2 (0.45) HTTCA12CA2CA9KDM4E
Hydrochloric Acid SCHEMBL7307224 0.80 SMN1; SMN2 (0.44) HTTCA12CA2CA9KDM4E
SCHEMBL10305720 0.77 L3MBTL1 (0.44) L3MBTL1HTTCA12CA2CA9
SCHEMBL4104345 0.76 L3MBTL1 (0.43) L3MBTL1HTTCA12CA2CA9
SCHEMBL21650439 0.76 L3MBTL1 (0.47) L3MBTL1HTTKDM4EALDH1A1TP53

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-0514268-A1 Substituted amino acid azetidinyl pyridone derivatives, their preparation and use as medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-11-19 EP disclosed