SCHEMBL8945343

SCHEMBL8945343

COc1ccc(C(N)COc2noc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN4A P35499 7/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
NQO1 P15559 1/20 0.37
AHR P35869 1/20 0.37
ESR2 Q92731 1/20 0.36

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
SCHEMBL8944992 0.87 FAAH (0.44) FAAHMGLLHIF1ASCN4A
SCHEMBL8945137 0.87 SCN4A (0.50) FAAHMGLLSCN4AACHE
SCHEMBL8945130 0.85 FAAH (0.46) FAAHMGLLSCN4AACHENQO1
SCHEMBL8945013 0.84 FAAH (0.44) FAAHMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL8945366 0.84 FAAH (0.46) FAAHMGLLMAPTHIF1ASMN1; SMN2
SCHEMBL8945162 0.83 FAAH (0.41) FAAHMGLLTP53MAPTHIF1A
SCHEMBL8945016 0.78 FAAH (0.56) FAAHMGLLCYP1A2CYP2D6SCN4A
SCHEMBL8945218 0.78 FAAH (0.44) FAAHMGLLSMN1; SMN2SCN4AACHE
SCHEMBL8945017 0.77 FAAH (0.43) FAAHMGLLSMN1; SMN2SCN4AACHE
Hydrochloric Acid SCHEMBL8945355 0.76 FAAH (0.55) FAAHMGLLTP53MAPTHIF1A

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