SCHEMBL8945192

SCHEMBL8945192

NC(COc1noc2ccc(Cl)cc12)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
SCN4A P35499 5/20 0.39
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
CYP19A1 P11511 1/20 0.37
SGMS1 Q86VZ5 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
KCNA5 P22460 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP17A1 P05093 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8945252 0.87 SCN4A (0.51) FAAHSCN4AKCNH2SCN5A
SCHEMBL8945218 0.85 FAAH (0.44) FAAHSCN4AKDM4ENPSR1LMNA
SCHEMBL8945002 0.82 FAAH (0.42) FAAHSCN4AKCNH2SCN5ATSHR
Hydrochloric Acid SCHEMBL8945257 0.81 FAAH (0.41) FAAHSCN4AKCNH2SCN5ATSHR
SCHEMBL8944957 0.81 FAAH (0.41) FAAHSCN4AKCNH2SCN5AHTT
SCHEMBL8944917 0.81 FAAH (0.44) FAAHSCN4AKCNH2SCN5ACYP19A1
SCHEMBL8945013 0.80 FAAH (0.44) FAAHSCN4AKCNH2SCN5AKCNA5
Hydrochloric Acid SCHEMBL8945185 0.80 FAAH (0.44) FAAHSCN4AKCNH2SCN5ACYP19A1
SCHEMBL8945141 0.78 FAAH (0.47) FAAHSCN4AKCNH2SCN5ANPC1
SCHEMBL8945234 0.77 FAAH (0.45) FAAHSCN4AKCNH2SCN5AKDM4E

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