SCHEMBL8945264

SCHEMBL8945264

NC(COc1noc2ccccc12)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
ACHE P22303 1/20 0.47
SCN4A P35499 3/20 0.47
EPHX1 P07099 1/20 0.43
AKT1 P31749 6/20 0.41
PRKCI P41743 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CHUK O15111 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT2 P31751 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PRKCD Q05655 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39

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
SCHEMBL8945316 0.85 SCN4A (0.53) FAAHACHESCN4AEPHX1AKT1
Hydrochloric Acid SCHEMBL8945397 0.83 FAAH (0.48) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8945055 0.83 FAAH (0.51) FAAHMGLLACHEPRKCIDYRK1A
SCHEMBL8945200 0.83 FAAH (0.50) FAAHMGLLACHESSTR4
SCHEMBL8945307 0.83 FAAH (0.57) FAAHMGLLACHEPRKCISSTR4
Hydrochloric Acid SCHEMBL8945101 0.82 FAAH (0.49) FAAHMGLLACHESSTR4
SCHEMBL8944998 0.81 FAAH (0.58) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8945199 0.81 FAAH (0.51) FAAHMGLLACHESSTR4
Hydrochloric Acid SCHEMBL8945355 0.81 FAAH (0.55) FAAHMGLLACHESSTR4
SCHEMBL8945137 0.80 SCN4A (0.50) FAAHMGLLACHESCN4ATACR1

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