SCHEMBL8945206

SCHEMBL8945206

CSC[C@H](N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN4A P35499 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
KAT6A Q92794 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 2/20 0.31
ALOX15 P16050 1/20 0.31
KCNJ6 P48051 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
SCHEMBL8945005 1.00 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945031 0.99 FAAH (0.45) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945150 0.89 FAAH (0.44) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945126 0.87 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945123 0.87 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945091 0.86 FAAH (0.47) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8944901 0.85 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945047 0.85 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945327 0.85 FAAH (0.45) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945066 0.85 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A

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