SCHEMBL13201400

SCHEMBL13201400

CC(C)(C)OC(=O)NC1(C)CCN(Cc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
OPRM1 P35372 1/20 0.49
ATM Q13315 2/20 0.47
NPFFR1 Q9GZQ6 3/20 0.45
NPFFR2 Q9Y5X5 3/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PPIA P62937 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL18821251 0.88 GAA (0.44) OPRM1KMT2AL3MBTL1MEN1PPIA
SCHEMBL18821267 0.88 GAA (0.44) OPRM1KMT2AL3MBTL1MEN1PPIA
SCHEMBL24187768 0.88 GAA (0.44) OPRM1KMT2AL3MBTL1MEN1PPIA
SCHEMBL13201418 0.84 NPFFR1 (0.44) ATMNPFFR1NPFFR2KMT2AL3MBTL1
SCHEMBL18821108 0.81 PPIA (0.43) OPRM1KMT2AMEN1PPIAHDAC1
SCHEMBL7396414 0.81 OPRM1 (0.46) OPRD1OPRM1ATML3MBTL1PPIA
SCHEMBL82429 0.80 KMT2A (0.43) OPRM1ATMNPFFR1NPFFR2KMT2A
SCHEMBL7396882 0.79 OPRM1 (0.46) OPRD1OPRM1ATMKMT2AMEN1
SCHEMBL1997960 0.77 NPFFR1 (0.58) NPFFR1NPFFR2KMT2AL3MBTL1MEN1
SCHEMBL24187775 0.76 GAA (0.48) ATMKMT2AMEN1HDAC1HDAC6

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
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed