SCHEMBL8944957

SCHEMBL8944957

COc1cccc(C(N)COc2noc3ccc(Cl)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
SCN4A P35499 7/20 0.40
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
AOC3 Q16853 2/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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 0.88 FAAH (0.44) FAAHSCN4AMAPTTDP1L3MBTL1
SCHEMBL8944992 0.88 FAAH (0.44) FAAHSCN4AL3MBTL1AOC3
SCHEMBL8945234 0.87 FAAH (0.45) FAAHSCN4AKCNH2SCN5ASMN1; SMN2
SCHEMBL8945252 0.86 SCN4A (0.51) FAAHSCN4AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945292 0.86 FAAH (0.44) FAAHSCN4AKCNH2SCN5ASMN1; SMN2
SCHEMBL8945002 0.86 FAAH (0.42) FAAHSCN4AKCNH2SCN5ASMN1; SMN2
Hydrochloric Acid SCHEMBL8945257 0.85 FAAH (0.41) FAAHSCN4AKCNH2SCN5ASMN1; SMN2
SCHEMBL8945192 0.81 FAAH (0.40) FAAHSCN4AL3MBTL1KCNH2SCN5A
SCHEMBL8944917 0.80 FAAH (0.44) FAAHSCN4AMAPTKCNH2SCN5A
SCHEMBL8945141 0.79 FAAH (0.47) FAAHSCN4AMAPTKCNH2SCN5A

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