SCHEMBL8944992

SCHEMBL8944992

COc1cccc(C(N)COc2noc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HIF1A Q16665 1/20 0.42
SCN4A P35499 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
AOC3 Q16853 3/20 0.37
TACR1 P25103 1/20 0.36
CASR P41180 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL8944957 0.88 FAAH (0.41) FAAHSCN4AL3MBTL1AOC3
SCHEMBL8945343 0.87 FAAH (0.47) FAAHMGLLHIF1ASCN4A
SCHEMBL8945277 0.84 KMT2A (0.40) FAAHMGLLHIF1ASCN4AL3MBTL1
SCHEMBL8945137 0.84 SCN4A (0.50) FAAHMGLLSCN4ATACR1
SCHEMBL8945017 0.83 FAAH (0.43) FAAHMGLLSCN4A
SCHEMBL8945218 0.77 FAAH (0.44) FAAHMGLLSCN4A
SCHEMBL8945130 0.77 FAAH (0.46) FAAHMGLLMGAMGAASI
SCHEMBL8945366 0.76 FAAH (0.46) FAAHMGLLHIF1ASCN4AL3MBTL1
SCHEMBL8945016 0.76 FAAH (0.56) FAAHMGLLSCN4AAOC3
SCHEMBL8945252 0.75 SCN4A (0.51) FAAHMGLLSCN4ATACR1

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-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed