SCHEMBL8294303

SCHEMBL8294303

CN(C(=O)[C@@H](N)Cc1ccccc1)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
OPRD1 P41143 1/20 0.46
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
SLC15A1 P46059 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
ATM Q13315 1/20 0.44
LTA4H P09960 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8294305 0.87 SLC7A5 (0.51) F2SLC7A5OPRD1DPP4HDAC8
SCHEMBL13898950 0.82 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26954878 0.81 L3MBTL1 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26954884 0.79 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL836806 0.79 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1764633 0.79 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30959049 0.79 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11122774 0.79 ACE (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7983865 0.78 F2 (0.45) F2
Bromide SCHEMBL10797451 0.78 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed