SCHEMBL8945166

SCHEMBL8945166

CCCC(N)COc1noc2ccc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
FAAH O00519 2/20 0.39
MGLL Q99685 1/20 0.39
TP53 P04637 4/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL8944901 0.86 FAAH (0.46) MAPTFAAHMGLLPOLBKDM4E
SCHEMBL8945100 0.86 FAAH (0.39) MAPTFAAHMGLLPOLBKDM4E
SCHEMBL8945077 0.86 MAPT (0.43) MAPTFAAHMGLLTP53POLB
Hydrochloric Acid SCHEMBL8944982 0.85 MAPT (0.42) MAPTFAAHMGLLTP53POLB
SCHEMBL8944998 0.83 FAAH (0.58) FAAHMGLLLMNA
Hydrochloric Acid SCHEMBL8945358 0.82 FAAH (0.57) FAAHMGLLLMNA
SCHEMBL8945126 0.75 FAAH (0.48) MAPTFAAHMGLLKDM4ETAS1R3
SCHEMBL5617540 0.75 MAPT (0.44) MAPTFAAHMGLLTP53POLB
SCHEMBL8945193 0.75 FAAH (0.45) MAPTFAAHMGLLKDM4ETAS1R3
SCHEMBL2968296 0.75 MAPT (0.47) MAPTFAAHMGLLTP53POLB

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