SCHEMBL5037192

SCHEMBL5037192

COC(=O)CC1CCN(C(=O)Cc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.67
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
LTA4H P09960 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
YAP1 P46937 1/20 0.48
RBP4 P02753 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
SCHEMBL5038864 0.83 TACR3 (0.69) TACR3ALDH1A1POLBLMNARAB9A
SCHEMBL14564029 0.82 HTT (0.61) RAB9ALTA4H
SCHEMBL14347695 0.82 HTT (0.61) RAB9ALTA4H
SCHEMBL14564151 0.82 HTT (0.61) RAB9ALTA4H
SCHEMBL8407511 0.82 MLNR (0.46) TACR3ALDH1A1LMNARAB9ALTA4H
Hydrochloric Acid SCHEMBL7272726 0.80 F2 (0.49) TACR3ALDH1A1
SCHEMBL4919643 0.80 HDAC3 (0.72) TACR3ALDH1A1L3MBTL1HDAC3HDAC4
SCHEMBL8446486 0.79 LTA4H (0.65) LTA4H
SCHEMBL5037841 0.77 TACR3 (0.64) TACR3ALDH1A1POLBLMNARAB9A
SCHEMBL22750444 0.77 BRD4 (0.45) TACR3ALDH1A1POLBRAB9ALTA4H

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 5 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 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