SCHEMBL8945047

SCHEMBL8945047

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
SCN5A Q14524 5/20 0.40
SCN10A Q9Y5Y9 4/20 0.40
AAK1 Q2M2I8 10/20 0.39
CYP3A4 P08684 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
SCN4A P35499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8945123 0.87 FAAH (0.48) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945126 0.87 FAAH (0.48) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945196 0.87 FAAH (0.50) FAAHSCN5AADORA3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945091 0.86 FAAH (0.47) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945005 0.85 FAAH (0.46) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8944901 0.85 FAAH (0.46) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945206 0.85 FAAH (0.46) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945327 0.85 FAAH (0.45) FAAHSCN5AADORA3SCN4AALDH1A1
SCHEMBL8945289 0.85 FAAH (0.48) FAAHSCN5ACYP3A4ADORA3SCN4A
SCHEMBL8945066 0.85 FAAH (0.48) FAAHSCN5ASCN4AALDH1A1KMT2A

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 1 patent. 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