SCHEMBL8945104

SCHEMBL8945104

COCC(COc1noc2ccc(Cl)cc12)NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
CRHR1 P34998 3/20 0.34
MGLL Q99685 1/20 0.33
KAT6A Q92794 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
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
SCHEMBL8945378 0.89 FAAH (0.44) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945362 0.85 FAAH (0.45) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL8945245 0.78 FAAH (0.40) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945169 0.78 FAAH (0.40) FAAHTAS1R3TAS1R1ALDH1A1MGLL
SCHEMBL8945123 0.78 FAAH (0.48) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945091 0.77 FAAH (0.47) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8945375 0.76 FAAH (0.44) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL8945196 0.75 FAAH (0.50) FAAHALDH1A1KMT2AMGLLMAPT
Hydrochloric Acid SCHEMBL8945117 0.75 FAAH (0.51) FAAHTAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL8945193 0.75 FAAH (0.45) FAAHTAS1R3TAS1R1ALDH1A1KMT2A

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