SCHEMBL8944968

SCHEMBL8944968

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
MGLL Q99685 1/20 0.34
KAT6A Q92794 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL8945289 0.86 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945196 0.85 FAAH (0.50) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945126 0.83 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945123 0.83 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945091 0.82 FAAH (0.47) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945321 0.81 FAAH (0.52) FAAHKCNH2SCN5AMGLLSMN1; SMN2
SCHEMBL8945005 0.81 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945047 0.81 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8944901 0.81 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945206 0.81 FAAH (0.46) 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