SCHEMBL8945289

SCHEMBL8945289

CC(C)C(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
KCNH2 Q12809 3/20 0.38
SCN5A Q14524 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
SCN4A P35499 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HPGD P15428 2/20 0.36
MGLL Q99685 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8945196 0.89 FAAH (0.50) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945029 0.89 FAAH (0.45) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8944968 0.86 FAAH (0.47) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945047 0.85 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945126 0.84 FAAH (0.48) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945123 0.84 FAAH (0.48) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945003 0.84 FAAH (0.49) FAAHKCNH2ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL8945091 0.83 FAAH (0.47) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8945005 0.82 FAAH (0.46) FAAHKCNH2SCN5AALDH1A1KMT2A
SCHEMBL8944901 0.82 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