SCHEMBL8944901

SCHEMBL8944901

CCCC(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SCN4A P35499 2/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
HTR3A P46098 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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 0.90 FAAH (0.48) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945193 0.89 FAAH (0.45) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945123 0.87 FAAH (0.48) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945150 0.87 FAAH (0.44) FAAHMGLLALDH1A1SCN4AKMT2A
Hydrochloric Acid SCHEMBL8945091 0.86 FAAH (0.47) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945166 0.86 MAPT (0.39) FAAHMGLLALDH1A1KMT2AMAPT
SCHEMBL8945005 0.85 FAAH (0.46) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945206 0.85 FAAH (0.46) FAAHMGLLALDH1A1SCN4AKMT2A
SCHEMBL8945100 0.85 FAAH (0.39) FAAHMGLLALDH1A1MAPTPOLB
SCHEMBL8945047 0.85 FAAH (0.46) FAAHALDH1A1SCN4AKMT2AKCNH2

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