SCHEMBL8945366

SCHEMBL8945366

CN(C)c1ccc(C(N)COc2noc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
HIF1A Q16665 2/20 0.41
ACHE P22303 1/20 0.38
SCN4A P35499 9/20 0.38
NQO1 P15559 1/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SSTR4 P31391 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL8945137 0.86 SCN4A (0.50) FAAHMGLLACHESCN4ACA12
SCHEMBL8945343 0.84 FAAH (0.47) FAAHMGLLHIF1AACHESCN4A
SCHEMBL8945141 0.84 FAAH (0.47) FAAHSCN4AALDH1A1MAPTKMT2A
SCHEMBL8945130 0.84 FAAH (0.46) FAAHMGLLACHESCN4ANQO1
SCHEMBL8945162 0.78 FAAH (0.41) FAAHMGLLHIF1AACHESCN4A
SCHEMBL8945016 0.77 FAAH (0.56) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8945218 0.77 FAAH (0.44) FAAHMGLLACHESCN4AALDH1A1
SCHEMBL8944992 0.76 FAAH (0.44) FAAHMGLLHIF1ASCN4AL3MBTL1
SCHEMBL8945017 0.76 FAAH (0.43) FAAHMGLLACHESCN4AKMT2A
SCHEMBL8945065 0.75 FAAH (0.54) FAAHMGLLACHESCN4ASMN1; SMN2

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