SCHEMBL8945327

SCHEMBL8945327

NC(CF)COc1noc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
SCN4A P35499 1/20 0.32
MGLL Q99685 1/20 0.32
LMNA P02545 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TRPV4 Q9HBA0 2/20 0.32
HTR3A P46098 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 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
SCHEMBL8945126 0.87 FAAH (0.48) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945066 0.87 FAAH (0.48) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945123 0.87 FAAH (0.48) FAAHKCNH2SCN5AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945297 0.86 FAAH (0.47) FAAHKCNH2SCN5AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945091 0.86 FAAH (0.47) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945005 0.85 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945047 0.85 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945140 0.85 FAAH (0.43) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8944901 0.85 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945206 0.85 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A

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