SCHEMBL13201418

SCHEMBL13201418

CCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
PPIA P62937 1/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSL P07711 1/20 0.39
SYK P43405 1/20 0.39
SCN9A Q15858 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
SCHEMBL13201400 0.84 OPRD1 (0.49) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL27475666 0.78 PPIA (0.52) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL6703813 0.76 NPFFR1 (0.61) NPFFR1NPFFR2KMT2AL3MBTL1CYP2D6
SCHEMBL82429 0.76 KMT2A (0.43) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL8087931 0.75 PPIA (0.51) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL13738215 0.74 NPFFR1 (0.57) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL8915173 0.74 PPIA (0.50) NPFFR1NPFFR2PPIAKMT2AL3MBTL1
SCHEMBL17608805 0.74 HDAC1 (0.55) KMT2AMEN1CTSSCTSKCTSB
SCHEMBL1997960 0.73 NPFFR1 (0.58) NPFFR1NPFFR2KMT2AL3MBTL1MEN1
SCHEMBL24187768 0.72 GAA (0.44) PPIAKMT2AL3MBTL1MEN1CYP2C19

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