SCHEMBL7987345

SCHEMBL7987345

CCCCc1nc(C=O)cn1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.32
FAAH O00519 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 3/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
BCHE P06276 1/20 0.30
CNR2 P34972 1/20 0.30
HDAC1 Q13547 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL9424439 0.85 KMT2A (0.34) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL10441676 0.85 KMT2A (0.34) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL6619750 0.81 ALDH1A1 (0.46) MEN1MAPTKMT2ABCHELMNA
SCHEMBL7975881 0.81 MEN1 (0.35) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL25130083 0.81 FAAH (0.33) L3MBTL1HTR6FAAHHSP90AA1HSP90AB1
SCHEMBL7986647 0.80 MEN1 (0.37) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL16839763 0.78 L3MBTL1 (0.36) L3MBTL1POLBHTR6FAAHHSP90AA1
SCHEMBL7990760 0.77 L3MBTL1 (0.33) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL7986418 0.76 MEN1 (0.34) L3MBTL1PDE10AMEN1POLBMAPT
SCHEMBL8954140 0.75 L3MBTL1 (0.42) L3MBTL1MEN1POLBMAPTKMT2A

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed