SCHEMBL8945016

SCHEMBL8945016

CC(N)COc1noc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
MGLL Q99685 1/20 0.56
ACHE P22303 1/20 0.42
SCN4A P35499 3/20 0.40
LMNA P02545 3/20 0.40
SCN5A Q14524 3/20 0.40
SCN1A P35498 2/20 0.40
SCN9A Q15858 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2B P41595 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNK3 O14649 1/20 0.40
CACNA1F O60840 1/20 0.40
KCNK2 O95069 1/20 0.40

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
SCHEMBL8945065 0.88 FAAH (0.54) FAAHMGLLACHESCN4ALMNA
Hydrochloric Acid SCHEMBL8945374 0.87 FAAH (0.52) FAAHMGLLACHESCN4ALMNA
SCHEMBL8945055 0.85 FAAH (0.51) FAAHMGLLACHELMNACYP3A4
SCHEMBL8945307 0.85 FAAH (0.57) FAAHMGLLACHELMNAHTR2A
SCHEMBL8944958 0.84 FAAH (0.53) FAAHMGLLACHESCN4ALMNA
SCHEMBL8945321 0.84 FAAH (0.52) FAAHMGLLACHELMNASCN5A
SCHEMBL8944998 0.82 FAAH (0.58) FAAHMGLLACHESCN4ALMNA
SCHEMBL8945199 0.82 FAAH (0.51) FAAHMGLLACHELMNASCN5A
Hydrochloric Acid SCHEMBL8945355 0.82 FAAH (0.55) FAAHMGLLACHELMNASCN5A
SCHEMBL8945200 0.82 FAAH (0.50) FAAHMGLLACHELMNASCN5A

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