SCHEMBL8945044

SCHEMBL8945044

CC(C)(N)COc1noc2ccc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
AAK1 Q2M2I8 6/20 0.36
SSTR4 P31391 1/20 0.35
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
SCD O00767 3/20 0.34
HTR3A P46098 2/20 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
SCHEMBL8945012 0.83 FAAH (0.50) FAAHMGLLAAK1SSTR4HTR3A
Hydrochloric Acid SCHEMBL8945446 0.82 FAAH (0.49) FAAHMGLLAAK1SSTR4HTR3A
SCHEMBL8945315 0.80 FAAH (0.56) FAAHMGLLSSTR4
Hydrochloric Acid SCHEMBL8945205 0.78 FAAH (0.55) FAAHMGLLSSTR4
SCHEMBL5618227 0.78 FAAH (0.41) FAAHMGLLHTR3A
SCHEMBL8944946 0.78 FAAH (0.43) FAAHMGLLSSTR4
Hydrochloric Acid SCHEMBL6993663 0.77 FAAH (0.40) FAAHMGLLHTR3A
SCHEMBL29135587 0.77 FAAH (0.40) FAAHMGLLSCDHTR3A
SCHEMBL8945338 0.76 L3MBTL1 (0.46)
SCHEMBL8945129 0.72 FAAH (0.36) FAAHMGLLSSTR4

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