SCHEMBL695875

SCHEMBL695875

CC(C)(C)OC(=O)N1C[C@H](Sc2ccc(-n3ccnc3)cc2)C[C@H]1C(=O)N(C#N)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
PIK3CD O00329 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 1/20 0.33
UCHL1 P09936 1/20 0.33
AR P10275 1/20 0.33
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP3A4 P08684 1/20 0.32
BAZ2B Q9UIF8 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
SCHEMBL695406 0.84 GPR119 (0.47) GPR119PIK3CDL3MBTL1HTR2AHTR2C
SCHEMBL15202564 0.84 CTSS (0.42) GPR119UCHL1ARCYP3A4
SCHEMBL2105562 0.80 CTSS (0.47) GPR119
SCHEMBL15200629 0.77 CTSS (0.47) GPR119UCHL1AR
SCHEMBL695135 0.76 UCHL1 (0.36) GPR119UCHL1AR
SCHEMBL695044 0.74 CTSS (0.38) GPR119UCHL1AR
SCHEMBL696555 0.74 UCHL1 (0.36) GPR119UCHL1AR
SCHEMBL15202446 0.73 CTSS (0.46) GPR119UCHL1AR
SCHEMBL697268 0.73 CTSS (0.47) GPR119UCHL1AR
SCHEMBL695599 0.71 CYP1A2 (0.43) GPR119UCHL1ARCYP3A4

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-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed