SCHEMBL13462020

SCHEMBL13462020

O=C1NCc2ccc(OCCO)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.49
HTR2A P28223 16/20 0.49
HTR1A P08908 15/20 0.49
KCNH2 Q12809 8/20 0.49
NTRK2 Q16620 2/20 0.49
TYRO3 Q06418 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
SLC6A4 P31645 2/20 0.48
KDR P35968 2/20 0.48
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
MET P08581 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
MAP2K2 P36507 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3B P49841 1/20 0.48
MAP2K1 Q02750 1/20 0.48
MST1R Q04912 1/20 0.48

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
SCHEMBL14216502 0.88 AURKA (0.46) CLK4KDRNTRK1FLT3GSK3B
SCHEMBL4728027 0.85 DRD2 (0.52) DRD2HTR2AHTR1AKCNH2NTRK2
SCHEMBL4727033 0.84 DRD2 (0.53) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL13027971 0.81 DRD2 (0.47) DRD2HTR2AHTR1AKCNH2NTRK2
SCHEMBL16519650 0.80 DRD2 (0.46) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4505901 0.78 GSTP1 (0.49) DRD2HTR2AHTR1AKCNH2NTRK2
SCHEMBL13027989 0.76 AURKA (0.59) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL2849831 0.76 PDE3B (0.53) NTRK2TYRO3CLK4DYRK1BKDR
SCHEMBL15553470 0.76 NTRK2 (0.51) DRD2HTR2AHTR1AKCNH2NTRK2
SCHEMBL31069587 0.76 PDE3B (0.53) NTRK2TYRO3CLK4DYRK1BKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 US disclosed
WO-2007084415-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed