SCHEMBL8945245

SCHEMBL8945245

COCC(COc1noc2ccc(Cl)cc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
MGLL Q99685 1/20 0.36
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KAT6A Q92794 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
KCNA5 P22460 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
ACACB O00763 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 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
SCHEMBL8944910 0.90 FAAH (0.39) FAAHMGLLKCNH2SCN5AKAT6A
SCHEMBL8945174 0.90 FAAH (0.40) FAAHMGLLKCNH2SCN5AKAT6A
SCHEMBL8944985 0.82 FAAH (0.38) FAAHMGLLKCNH2SCN5AKAT6A
SCHEMBL8944989 0.82 FAAH (0.38) FAAHMGLLKCNH2SCN5AKAT6A
SCHEMBL8945282 0.81 SIRT2 (0.38) FAAHKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945169 0.81 FAAH (0.40) FAAHMGLLKCNH2SCN5ATAS1R3
Hydrochloric Acid SCHEMBL8945362 0.81 FAAH (0.45) FAAHMGLLKCNH2SCN5ATAS1R3
SCHEMBL8945225 0.79 FAAH (0.35) FAAHKCNH2SCN5A
SCHEMBL8945104 0.78 FAAH (0.46) FAAHMGLLTAS1R3TAS1R1KAT6A
SCHEMBL8945123 0.75 FAAH (0.48) FAAHMGLLKCNH2SCN5ATAS1R3

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