SCHEMBL8945141

SCHEMBL8945141

CN(C)c1ccc(C(N)COc2noc3ccc(Cl)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
SCN4A P35499 5/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.34
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 1/20 0.34
APP P05067 1/20 0.33
KDM1A O60341 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.31
KAT6A Q92794 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
SCHEMBL8945013 0.86 FAAH (0.44) FAAHSCN4AALDH1A1MAPTKCNH2
SCHEMBL8944917 0.85 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945252 0.85 SCN4A (0.51) FAAHSCN4AKCNH2SCN5AKAT6A
Hydrochloric Acid SCHEMBL8945185 0.84 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945366 0.84 FAAH (0.46) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945444 0.80 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945196 0.80 FAAH (0.50) FAAHALDH1A1KMT2AMAPTKCNH2
SCHEMBL8944957 0.79 FAAH (0.41) FAAHSCN4AALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8945073 0.79 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945002 0.78 FAAH (0.42) FAAHSCN4AALDH1A1KMT2AKCNH2

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