SCHEMBL8945150

SCHEMBL8945150

CSCCC(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN4A P35499 1/20 0.32
MGLL Q99685 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
HTR3A P46098 2/20 0.31
HTR2C P28335 2/20 0.31
MAPT P10636 1/20 0.31
MARS1 P56192 2/20 0.31
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL8945005 0.89 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945206 0.89 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945031 0.88 FAAH (0.45) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8944901 0.87 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945193 0.86 FAAH (0.45) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945123 0.84 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945126 0.84 FAAH (0.48) FAAHALDH1A1KMT2AKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945091 0.83 FAAH (0.47) FAAHALDH1A1KMT2AKCNH2SCN5A
SCHEMBL8945365 0.83 FAAH (0.48) FAAHALDH1A1KMT2AMGLL
SCHEMBL8945047 0.82 FAAH (0.46) FAAHALDH1A1KMT2AKCNH2SCN5A

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