SCHEMBL8945083

SCHEMBL8945083

CNc1ccc2onc(OCC(N)CO)c2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
APP P05067 3/20 0.32
S1PR1 P21453 3/20 0.32
SYK P43405 1/20 0.31

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
Hydrochloric Acid SCHEMBL8945351 0.84 FAAH (0.34) FAAHSYK
SCHEMBL8945077 0.84 MAPT (0.43) FAAHMGLLS1PR1
Hydrochloric Acid SCHEMBL8944982 0.82 MAPT (0.42) FAAHMGLLS1PR1
SCHEMBL8945050 0.82 KCNA5 (0.37)
SCHEMBL8945066 0.81 FAAH (0.48) FAAHMGLLS1PR1
Hydrochloric Acid SCHEMBL8945297 0.80 FAAH (0.47) FAAHMGLLS1PR1
Hydrochloric Acid SCHEMBL5618087 0.77 FAAH (0.41) FAAHMGLLAPP
Hydrochloric Acid SCHEMBL8945101 0.77 FAAH (0.49) FAAHMGLL
Hydrochloric Acid SCHEMBL8945078 0.72 ESR1 (0.41) FAAHMGLLSYK
SCHEMBL8945159 0.71 FAAH (0.35) FAAHMGLLSYK

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