SCHEMBL8945378

SCHEMBL8945378

CCCC(COc1noc2ccc(Cl)cc12)NC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
KAT6A Q92794 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
HTR3A P46098 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
MGAM O43451 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
SCHEMBL8945104 0.89 FAAH (0.46) FAAHMGLLALDH1A1KMT2ATAS1R3
Hydrochloric Acid SCHEMBL8945375 0.85 FAAH (0.44) FAAHMGLLALDH1A1KMT2ATAS1R3
SCHEMBL8944901 0.79 FAAH (0.46) FAAHMGLLALDH1A1KMT2ATAS1R3
Hydrochloric Acid SCHEMBL8945219 0.76 FAAH (0.49) FAAHMGLLALDH1A1KMT2ATAS1R3
Hydrochloric Acid SCHEMBL8945362 0.76 FAAH (0.45) FAAHMGLLALDH1A1KMT2ATAS1R3
SCHEMBL13481250 0.74 FAAH (0.53) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL8945126 0.74 FAAH (0.48) FAAHMGLLALDH1A1KMT2ATAS1R3
SCHEMBL8945196 0.74 FAAH (0.50) FAAHMGLLALDH1A1KMT2AMAPT
SCHEMBL12967972 0.73 FAAH (0.57) FAAHMGLLALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8945295 0.72 FAAH (0.47) FAAHALDH1A1KMT2ATAS1R3TAS1R1

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