SCHEMBL8945049

SCHEMBL8945049

NC(COc1noc2ccccc12)CC(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
SSTR4 P31391 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
DPP4 P27487 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
SCHEMBL8945095 0.85 FAAH (0.43) FAAHKMT2AMEN1MAPTHPGD
SCHEMBL8945395 0.81 FAAH (0.46) ACHEFAAHMGLLKMT2AMAPT
SCHEMBL8944960 0.76 FAAH (0.45) ACHEFAAHMGLLKMT2AMEN1
Hydrochloric Acid SCHEMBL8945101 0.75 FAAH (0.49) ACHEFAAHMGLLKMT2AMEN1
Hydrochloric Acid SCHEMBL8945510 0.75 FAAH (0.44) ACHEFAAHMGLLKMT2AMEN1
SCHEMBL8945301 0.75 FAAH (0.44) ACHEFAAHMGLLKMT2AMAPT
Hydrochloric Acid SCHEMBL8945261 0.75 FAAH (0.44) ACHEFAAHMGLLKMT2AMEN1
SCHEMBL8945200 0.73 FAAH (0.50) ACHEFAAHMGLLSSTR4RAB9A
SCHEMBL8945307 0.73 FAAH (0.57) ACHEFAAHMGLLSSTR4SMN1; SMN2
Hydrochloric Acid SCHEMBL8945364 0.73 FAAH (0.42) ACHEFAAHMGLLMAPTSSTR4

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