SCHEMBL8945002

SCHEMBL8945002

NC(COc1noc2ccc(Cl)cc12)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MGAM O43451 1/20 0.42
SCN4A P35499 5/20 0.39
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 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
Hydrochloric Acid SCHEMBL8945257 0.99 FAAH (0.41) FAAHMGAMSCN4AKCNH2SCN5A
SCHEMBL8944917 0.87 FAAH (0.44) FAAHMGAMSCN4AKCNH2SCN5A
SCHEMBL8945252 0.87 SCN4A (0.51) FAAHSCN4AKCNH2SCN5ATACR1
Hydrochloric Acid SCHEMBL8945185 0.86 FAAH (0.44) FAAHMGAMSCN4AKCNH2SCN5A
SCHEMBL8945017 0.86 FAAH (0.43) FAAHSCN4AKCNH2SCN5AKMT2A
SCHEMBL8944957 0.86 FAAH (0.41) FAAHSCN4AKCNH2SCN5AALDH1A1
SCHEMBL8945234 0.83 FAAH (0.45) FAAHSCN4AKCNH2SCN5AALDH1A1
Hydrochloric Acid SCHEMBL8945292 0.83 FAAH (0.44) FAAHSCN4AKCNH2SCN5AALDH1A1
SCHEMBL8945192 0.82 FAAH (0.40) FAAHSCN4AKCNH2SCN5ATSHR
SCHEMBL8945013 0.80 FAAH (0.44) FAAHSCN4AKCNH2SCN5AGABRP

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