SCHEMBL8944910

SCHEMBL8944910

CSC[C@@H](COc1noc2ccc(Cl)cc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 1/20 0.33
KAT6A Q92794 1/20 0.32
MGLL Q99685 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA5 P22460 2/20 0.31
ABCC9 O60706 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8945245 0.90 FAAH (0.40) FAAHKCNH2SCN5AKAT6AMGLL
SCHEMBL8945174 0.88 FAAH (0.40) FAAHKCNH2SCN5AKAT6AMGLL
SCHEMBL8944985 0.84 FAAH (0.38) FAAHKCNH2SCN5AKAT6AMGLL
SCHEMBL8944989 0.84 FAAH (0.38) FAAHKCNH2SCN5AKAT6AMGLL
SCHEMBL8945282 0.80 SIRT2 (0.38) FAAHKCNH2SCN5A
SCHEMBL8945225 0.78 FAAH (0.35) FAAHKCNH2SCN5A
SCHEMBL8945206 0.76 FAAH (0.46) FAAHKCNH2SCN5AKAT6AMGLL
SCHEMBL8945005 0.76 FAAH (0.46) FAAHKCNH2SCN5AKAT6AMGLL
Hydrochloric Acid SCHEMBL8945031 0.75 FAAH (0.45) FAAHKCNH2SCN5AKAT6AMGLL
Hydrochloric Acid SCHEMBL8945169 0.73 FAAH (0.40) FAAHKCNH2SCN5AKAT6AMGLL

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