SCHEMBL8945197

SCHEMBL8945197

CCC(C)(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
AAK1 Q2M2I8 8/20 0.38
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
KAT6A Q92794 1/20 0.34
SSTR4 P31391 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.32
DRD3 P35462 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
SCHEMBL8944952 0.88 FAAH (0.48) FAAHAAK1MGLLALDH1A1KMT2A
SCHEMBL8945012 0.88 FAAH (0.50) FAAHAAK1MGLLALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945446 0.87 FAAH (0.49) FAAHAAK1MGLLALDH1A1KMT2A
SCHEMBL8945129 0.85 FAAH (0.36) FAAHMGLLALDH1A1KMT2ASSTR4
SCHEMBL8945080 0.81 FAAH (0.56) FAAHAAK1MGLLSSTR4MAOB
SCHEMBL13481250 0.78 FAAH (0.53) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL12958353 0.77 FAAH (0.50) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL8944968 0.77 FAAH (0.47) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL12967972 0.77 FAAH (0.57) FAAHMGLLALDH1A1KMT2AMAPT
SCHEMBL8945126 0.75 FAAH (0.48) FAAHMGLLALDH1A1KMT2AMAOB

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