SCHEMBL8945162

SCHEMBL8945162

NC(=O)Oc1ccc(C(N)COc2noc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
MGLL Q99685 1/20 0.41
SSTR4 P31391 1/20 0.37
SCN4A P35499 4/20 0.37
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
AOC3 Q16853 2/20 0.34
ACACB O00763 2/20 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
MAOB P27338 1/20 0.33
CA5A P35218 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
SCHEMBL8945277 0.88 KMT2A (0.40) FAAHMGLLSSTR4SCN4AACHE
SCHEMBL8945444 0.85 FAAH (0.47) FAAHSCN4ASMN1; SMN2TP53MAPT
Hydrochloric Acid SCHEMBL8945073 0.84 FAAH (0.47) FAAHSCN4ASMN1; SMN2TP53MAPT
SCHEMBL8945343 0.83 FAAH (0.47) FAAHMGLLSCN4AACHESMN1; SMN2
SCHEMBL8945130 0.83 FAAH (0.46) FAAHMGLLSSTR4SCN4AACHE
SCHEMBL8945137 0.83 SCN4A (0.50) FAAHMGLLSCN4AACHECA12
SCHEMBL8945366 0.78 FAAH (0.46) FAAHMGLLSSTR4SCN4AACHE
SCHEMBL8944960 0.77 FAAH (0.45) FAAHMGLLSSTR4ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL8945261 0.76 FAAH (0.44) FAAHMGLLSSTR4ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL8945510 0.76 FAAH (0.44) FAAHMGLLSSTR4ACHESMN1; SMN2

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