SCHEMBL27689294

SCHEMBL27689294

CC(=O)CN1CCCN(C2CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PER2 O15055 8/20 0.38
BDKRB2 P30411 2/20 0.36
ACE P12821 3/20 0.35
TP53 P04637 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL27689173 0.83 L3MBTL1 (0.38) PER2TP53POLBTSHR
SCHEMBL28766052 0.82 TP53 (0.39) PER2TP53
SCHEMBL5499122 0.82 L3MBTL1 (0.37) PER2TP53POLBTSHR
SCHEMBL27670252 0.82 PER2 (0.38) PER2ACEL3MBTL3GAATSHR
SCHEMBL27689238 0.81 ALDH1A1 (0.45) TP53POLBGAATSHRF10
SCHEMBL27689180 0.80 FKBP1A (0.37) PER2
SCHEMBL2859914 0.79 SMN1; SMN2 (0.53)
SCHEMBL2856411 0.71 ACE (0.46) PER2ACETP53POLB
SCHEMBL15264280 0.69 KDM5A (0.44) POLBGAAF10
SCHEMBL2861902 0.69 PER2 (0.40) PER2ACEL3MBTL3POLBF10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093285-B Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2013-10-16 CN disclosed
CN-1989104-B Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-07-13 CN disclosed
CN-102093285-A Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-06-15 CN disclosed
CN-1989104-A Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2007-06-27 CN disclosed