SCHEMBL861643

SCHEMBL861643

O=C1CCc2ccc(-c3ccc4c(c3)C(=O)NCC3CN(C(=O)O)CC43)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34
PARP1 P09874 5/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
NTRK2 Q16620 2/20 0.33
TYRO3 Q06418 1/20 0.33
CTSC P53634 1/20 0.33
BRD4 O60885 1/20 0.32
HSD17B1 P14061 1/20 0.32
FYN P06241 1/20 0.31
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
MET P08581 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
FLT3 P36888 1/20 0.30
GSK3B P49841 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL1805545 0.86 GPR119 (0.43) KDM4ENPC1
SCHEMBL1805544 0.86 GPR119 (0.43) KDM4ENPC1
SCHEMBL1805673 0.84 MAOA (0.34) METGSK3B
SCHEMBL1805674 0.84 MAOA (0.34) METGSK3B
SCHEMBL1805676 0.84 MAOA (0.34) METGSK3B
SCHEMBL861829 0.84 HDAC2 (0.40) PARP1CLK4DYRK1BNTRK2TYRO3
SCHEMBL860635 0.84 BRD4 (0.36) PBRM1PARP1CLK4DYRK1BNTRK2
SCHEMBL860636 0.84 BRD4 (0.36) PBRM1PARP1CLK4DYRK1BNTRK2
SCHEMBL2599154 0.82 RORC (0.37) PARP1JAK2
SCHEMBL1806741 0.81 ACMSD (0.35) PARP1GSK3B

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
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed