SCHEMBL8945276

SCHEMBL8945276

CN(C)C(=O)n1cnc(CC(COc2noc3ccc(Cl)cc23)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
AAK1 Q2M2I8 5/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
HDAC3 O15379 5/20 0.33
HDAC4 P56524 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC7 Q8WUI4 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC10 Q969S8 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
HDAC8 Q9BY41 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC9 Q9UKV0 5/20 0.33
HDAC5 Q9UQL6 5/20 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
Hydrochloric Acid SCHEMBL8945187 0.82 FAAH (0.48) FAAHALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL8945068 0.81 FAAH (0.40) FAAHAAK1ALDH1A1KMT2ATP53
SCHEMBL8944950 0.81 FAAH (0.46) FAAHAAK1ALDH1A1KMT2APTGER1
SCHEMBL8945482 0.79 FAAH (0.44) FAAHAAK1ALDH1A1KMT2APTGER1
SCHEMBL8945149 0.79 FAAH (0.41) FAAHAAK1ALDH1A1KMT2ATP53
SCHEMBL8945072 0.78 FAAH (0.43) FAAHAAK1ALDH1A1KMT2APTGER1
SCHEMBL8944941 0.78 FAAH (0.43) FAAHAAK1ALDH1A1KMT2ATP53
SCHEMBL8945081 0.78 FAAH (0.43) FAAHAAK1ALDH1A1KMT2APTGER1
SCHEMBL8945028 0.77 FAAH (0.42) FAAHAAK1ALDH1A1KMT2APTGER1
SCHEMBL8945148 0.77 FAAH (0.42) FAAHAAK1ALDH1A1KMT2APTGER1

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