SCHEMBL8944946

SCHEMBL8944946

CCCCc1ccc2onc(OCC(C)(C)N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
SKP2 Q13309 1/20 0.35
SPHK2 Q9NRA0 3/20 0.33
HTR1A P08908 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
SSTR4 P31391 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL8945012 0.78 FAAH (0.50) FAAHMGLLSSTR4SMN1; SMN2HPGD
SCHEMBL8945044 0.78 FAAH (0.36) FAAHMGLLSSTR4
Hydrochloric Acid SCHEMBL8945446 0.77 FAAH (0.49) FAAHMGLLSSTR4SMN1; SMN2HPGD
SCHEMBL8945315 0.74 FAAH (0.56) FAAHMGLLSSTR4CA2SMN1; SMN2
SCHEMBL8945300 0.74 FAAH (0.37) FAAHMGLLPDE10APPARGPPARD
Hydrochloric Acid SCHEMBL8945205 0.73 FAAH (0.55) FAAHMGLLSSTR4CA2SMN1; SMN2
SCHEMBL8945129 0.70 FAAH (0.36) FAAHMGLLSSTR4CYP1A2CYP2C19
SCHEMBL8945197 0.70 FAAH (0.47) FAAHMGLLSSTR4SMN1; SMN2HPGD
SCHEMBL8944952 0.68 FAAH (0.48) FAAHMGLLSSTR4SMN1; SMN2HPGD
SCHEMBL14381397 0.68 FAAH (0.66) FAAHMGLLCA2NPC1HTT

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