SCHEMBL7337661

SCHEMBL7337661

O=C1CNC(=O)N1COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PLA2G7 Q13093 2/20 0.45
TSHR P16473 2/20 0.44
ALOX12 P18054 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
RIN1 Q13671 1/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9770539 0.78 ALOX12 (0.54) PLA2G7TSHRALOX12LMNAPOLB
SCHEMBL8062425 0.77 GSK3A (0.63) GSK3AGSK3BTSHRABL1LMNA
SCHEMBL8764222 0.74 MGLL (0.52) GSK3AGSK3BPLA2G7TSHRALOX15
SCHEMBL3318940 0.73 GSK3A (1.00) GSK3AGSK3BTSHRGAAPOLB
SCHEMBL9770647 0.71 RAB9A (0.66) LMNAGAARECQLKMT2AMAPT
SCHEMBL20339321 0.70 GSK3A (0.69) GSK3AGSK3BTSHRGAAMEN1
SCHEMBL7330913 0.70 GSK3A (0.59) GSK3AGSK3BTSHRABL1LMNA
SCHEMBL17160680 0.70 TSHR (0.48) GSK3AGSK3BTSHRABL1LMNA
SCHEMBL17160677 0.69 GSK3A (0.57) GSK3AGSK3BTSHRABL1LMNA
SCHEMBL8661738 0.69 GSK3A (0.57) GSK3AGSK3BTSHRABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed