SCHEMBL8945218

SCHEMBL8945218

NC(COc1noc2ccccc12)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
SCN4A P35499 7/20 0.37
ACHE P22303 1/20 0.37
AKT1 P31749 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL8945137 0.87 SCN4A (0.50) FAAHMGLLSCN4AACHECA12
SCHEMBL8945192 0.85 FAAH (0.40) FAAHSCN4AAKT1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8944928 0.81 FAAH (0.42) FAAHMGLLACHEAKT1MAPK1
SCHEMBL8945130 0.80 FAAH (0.46) FAAHMGLLSCN4AACHECA12
SCHEMBL8945017 0.79 FAAH (0.43) FAAHMGLLSCN4AACHESMN1; SMN2
SCHEMBL8945343 0.78 FAAH (0.47) FAAHMGLLSCN4AACHEALDH1A1
SCHEMBL8944992 0.77 FAAH (0.44) FAAHMGLLSCN4A
SCHEMBL8945366 0.77 FAAH (0.46) FAAHMGLLSCN4AACHEALDH1A1
SCHEMBL8945016 0.76 FAAH (0.56) FAAHMGLLSCN4AACHESLC6A2
SCHEMBL8945162 0.74 FAAH (0.41) FAAHMGLLSCN4AACHENPSR1

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