SCHEMBL5037841

SCHEMBL5037841

O=C(O)CC1CCCN(C(=O)Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.64
ALDH1A1 P00352 7/20 0.60
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP10 P09238 1/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL5034424 0.87 TACR3 (0.59) TACR3ALDH1A1POLBL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL8409067 0.80 F2 (0.51) TACR3ALDH1A1SMN1; SMN2MMP2MMP3
SCHEMBL8696423 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MMP2MMP3MMP10MMP8
SCHEMBL12207405 0.80 ALDH1A1 (0.63) TACR3ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL15014630 0.80 ALDH1A1 (0.75) TACR3ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL24812895 0.80 ALDH1A1 (0.75) TACR3ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL2638492 0.80 HDAC3 (0.64) TACR3ALDH1A1POLBL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL30708160 0.79 ALDH1A1 (0.62) TACR3ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL3444479 0.79 TACR3 (0.55) TACR3ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL5038864 0.78 TACR3 (0.69) TACR3ALDH1A1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626961-A4 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2008-07-16 EP claimed
JP-2007501855-A 2007-02-01 JP claimed
EP-1626961-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-02-22 EP claimed
WO-2004101523-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-11-25 WO claimed
EP-1626961-A4 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2008-07-16 EP disclosed
EP-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
EP-1626961-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-02-22 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO disclosed
WO-2004101523-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-11-25 WO disclosed